SCHEMBL8747758

SCHEMBL8747758

c1ccc(C23CCC(CC2)CC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.56
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
OPRL1 P41146 2/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 1/20 0.41
MAOB P27338 5/20 0.39
MAOA P21397 4/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL6053771 0.85 GRIN2D (0.50) PNMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13148540 0.81 PNMT (0.39) PNMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9147001 0.76 GRIN2D (0.55) PNMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10455063 0.75 ESR2 (0.55)
SCHEMBL9451488 0.75 ALDH1A1 (0.34) PNMTOPRM1
SCHEMBL22347856 0.75 KMT2A (0.42) PNMTOPRL1OPRM1OPRK1MAOB
SCHEMBL22348038 0.73 ESR2 (0.39)
SCHEMBL6939188 0.72 GRIN2D (0.57) PNMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL181479 0.72 GRIN2D (0.62) PNMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL346575 0.72 PNMT (0.54) PNMTGRIN2DGRIN3BGRIN1GRIN2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4398803-A Liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-08-16 US claimed
JP-6228044-A None JP disclosed
JP-6228044-A None JP disclosed
EP-3071541-B1 SUBSTITUTED (4'-HYDROXYPHENYL)CYCLOALKANE COMPOUNDS AND USES THEREOF AS SELECTIVE AGONISTS OF THE ESTROGEN RECEPTOR BETA ISOFORM UNIV MARQUETTE (US) 2023-06-07 EP disclosed
EP-0599732-B1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR (FR) 1997-03-12 EP disclosed
EP-0599732-B1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR (FR) 1997-03-12 EP disclosed
US-5403953-A Antiarthritic and -inflammatory agents ADIR ET COMPAGNIE (FR) 1995-04-04 US disclosed
US-5403953-A Antiarthritic and -inflammatory agents ADIR ET COMPAGNIE (FR) 1995-04-04 US disclosed
EP-0532511-B1 TRETRA-SUBSTITUTED METHANES WITH LIQUID CRYSTAL PROPERTIES CONSORTIUM ELEKTROCHEM IND (DE) 1994-11-02 EP disclosed
JP-H06228044-A NEW 1-PHENYLBICYCLO(2,2,2)OCTANE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THESE DERIVATIVES ADIR 1994-08-16 JP disclosed
JP-H06228044-A NEW 1-PHENYLBICYCLO(2,2,2)OCTANE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THESE DERIVATIVES ADIR 1994-08-16 JP disclosed
US-5326495-A Tetrasubstituted methanes having liquid-crystalline properties CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-07-05 US disclosed
EP-0599732-A1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-06-01 EP disclosed
EP-0599732-A1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-06-01 EP disclosed
EP-0532511-A1 TRETRA-SUBSTITUTED METHANES WITH LIQUID CRYSTAL PROPERTIES. CONSORTIUM ELEKTROCHEM IND (DE) 1993-03-24 EP disclosed
WO-1991016295-A1 TRETRA-SUBSTITUTED METHANES WITH LIQUID CRYSTAL PROPERTIES Consortium für elektrochemische Industrie GmbH (DE) 1991-10-31 WO disclosed
US-4595521-A In liquid crystalline carrier HOFFMANN-LA ROCHE INC. (US) 1986-06-17 US disclosed
US-4452718-A Pyridazines HOFFMANN-LA ROCHE INC. (US) 1984-06-05 US disclosed
US-4419262-A Pyridazines HOFFMANN-LA ROCHE INC. (US) 1983-12-06 US disclosed
US-4398803-A Liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-08-16 US disclosed