SCHEMBL6969700

SCHEMBL6969700

N=C1CCCCC(CC2CN(c3ccccc3)N=C2c2ccccc2)N1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
GLA P06280 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CASP3 P42574 1/20 0.37
RECQL P46063 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CNR2 P34972 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CES2 O00748 4/20 0.32

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
SCHEMBL6977478 0.87 KDM4E (0.37) KDM4ENPC1GLAMAPTMAPK1
SCHEMBL6976226 0.85 KDM4E (0.33) KDM4ENPC1GLAMAPTMAPK1
SCHEMBL6974778 0.72 GLA (0.38) KDM4ENPC1GLAMAPTMAPK1
SCHEMBL8175125 0.72 KDM4E (0.33) KDM4ENPC1GLAMAPTMAPK1
SCHEMBL6969989 0.68 FFAR1 (0.32)
SCHEMBL6970255 0.67 CA1 (0.38) KDM4ENPC1MAPTMAPK1RAB9A
SCHEMBL11153238 0.67 L3MBTL1 (0.40) KDM4ENPC1GLAMAPTMAPK1
SCHEMBL6971463 0.65 POLB (0.56)
SCHEMBL6967548 0.65 CHRNB2 (0.40)
SCHEMBL6976231 0.64 KDM4E (0.34) KDM4ENPC1GLAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US claimed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed