SCHEMBL1286537

SCHEMBL1286537

NCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
AOC3 Q16853 2/20 0.42
MAOB P27338 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17117418 0.84 PRSS1 (0.50) HDAC1HDAC2
SCHEMBL11390313 0.84 ALDH1A1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4MTNR1A
SCHEMBL6001346 0.83 PARP1 (0.46) HDAC1
SCHEMBL22406475 0.83 MEN1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4MTNR1A
SCHEMBL14415619 0.83 PARP1 (0.46) HDAC1
SCHEMBL27814394 0.83 TBXAS1 (0.63)
SCHEMBL6001349 0.83 PARP1 (0.46) HDAC1
SCHEMBL19380830 0.83 MEN1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4MTNR1A
SCHEMBL11680510 0.81 SIGMAR1 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4MTNR1A
SCHEMBL8527109 0.80 NFE2L2 (0.43) AOC3MAOBHDAC1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 200 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114959712-A Vapor phase corrosion inhibitor and preparation method thereof 中国石油化工股份有限公司 2022-08-30 CN claimed
US-20060216338-A1 Composition and method of treatment for heel pain EASTERLING W J 2006-09-28 US claimed
US-20050020569-A1 Composition and method for treating erectile dysfunction and reducing fibrosis in erectile tissue of the human penis EASTERLING W JERRY (US) 2005-01-27 US claimed
US-20040253300-A1 Medication and method for remediating existing scars through transdermal, topical delivery of calcium channel blockers EASTERLING W JERRY (US) 2004-12-16 US claimed
US-20040170674-A1 For the topical application of one or more calcium channel blocker agents suspended in one or more carriers with penetration enhancing agent's two effect transdermal delivery of the calcium channel blocker agent EASTERLING W JERRY (US) 2004-09-02 US claimed
US-20040170675-A1 Noninvasive method for treating cellulite through transdermal delivery of calcium channel blocker agents and medicament for use in such method EASTERLING W JERRY (US) 2004-09-02 US claimed
WO-2003034999-A2 MEDICATION AND METHOD FOR REMEDIATING EXISTING SCARS THROUGH TRANSDERMAL TOPICAL DELIVERY OF CALCIUM CHANNEL BLOCKERS EASTERLING JERRY W (US) 2003-05-01 WO claimed
WO-2003034998-A2 COMPOSITION AND METHOD FOR TREATING ERECTILE DYSFUNCTION AND REDUCING FIBROSIS IN ERECTILE TISSUE OF THE HUMAN PENIS EASTERLING JERRY W (US) 2003-05-01 WO claimed
WO-2002085344-A1 NONINVASIVE METHODS FOR TREATING HEMANGIOMAS EASTERLING W JERRY (US) 2002-10-31 WO claimed
US-20020160995-A1 Medication and method for remediating existing scars through transdermal, topical delivery of calcium channel blockers EASTERLING W JERRY (US) 2002-10-31 US claimed
EP-1105113-A4 COMPOSITION AND METHOD FOR TREATING PEYRONIE'S DISEASE AND OTHER SUB-DERMAL PLAQUE MANIFESTATION DISORDERS EASTERLING JERRY W (US) 2002-08-21 EP claimed
US-20020028234-A1 Noninvasive method for treating hemangiomas through transdermal delivery of calcium channel blocker agents and medicament for use in such method FIBRO-GEN, LTD. 2002-03-07 US claimed
US-20020022664-A1 Method for treating aberrant fibrotic tissue manifestations with topical calcium channel blocker preparations and improved composition for such treatment and improved method for the manufacture thereof EASTERLING W JERRY (US) 2002-02-21 US claimed
US-20020019445-A1 Noninvasive method for treating cellulite through transdermal delivery of calcium channel blocker agents and medicament for use in such method EASTERLING W JERRY (US) 2002-02-14 US claimed
US-20010047037-A1 METHOD FOR NON-INVASIVE TOPICAL TREATMENT OF PEYRONIE'S DISEASE, DUPUYTREN'S HAND CONTRACTURE AND LEDEDERHOSE FIBROISIS FIBRO-GEN, LTD. 2001-11-29 US claimed
EP-1105113-A1 COMPOSITION AND METHOD FOR TREATING PEYRONIE'S DISEASE AND OTHER SUB-DERMAL PLAQUE MANIFESTATION DISORDERS Easterling, Jerry W. (US) 2001-06-13 EP claimed
WO-2000007587-A9 COMPOSITION AND METHOD FOR TREATING PEYRONIE'S DISEASE AND OTHER SUB-DERMAL PLAQUE MANIFESTATION DISORDERS EASTERLING W JERRY (US) 2000-08-03 WO claimed
WO-2000007587-A1 COMPOSITION AND METHOD FOR TREATING PEYRONIE'S DISEASE AND OTHER SUB-DERMAL PLAQUE MANIFESTATION DISORDERS EASTERLING W JERRY (US) 2000-02-17 WO claimed
US-4690935-A Inhibition of tumor growth and metastasis with calcium channel blocker compounds WAYNE STATE UNIVERSITY (US) 1987-09-01 US claimed
EP-0132764-A2 Derivatives of dihydrodibenzocycloheptylidene-ethylamine SOCIEDAD ESPANOLA DE ESPECIALIDADES FARMACO-TERAPEUTICAS, S.A. (ES) 1985-02-13 EP claimed