SCHEMBL7805459

SCHEMBL7805459

Cn1[c]nc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ACSS2 Q9NR19 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ALOX5 P09917 1/20 0.46
CYP3A4 P08684 2/20 0.46
SRD5A2 P31213 1/20 0.45
MAOB P27338 2/20 0.44
IP6K1 Q92551 1/20 0.44
DYRK1A Q13627 1/20 0.44
AS3MT Q9HBK9 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL7812504 0.89 NPC1 (0.52) NPC1RAB9AMEN1KMT2AACSS2
SCHEMBL7814303 0.81 MAPT (0.48) NPC1RAB9AMEN1KMT2AACSS2
SCHEMBL7814533 0.70 GPBAR1 (0.36)
SCHEMBL5448369 0.70 MEN1 (0.53) NPC1RAB9AMEN1KMT2AACSS2
SCHEMBL21803205 0.70 ACSS2 (0.66) NPC1RAB9AMEN1KMT2AACSS2
SCHEMBL29408381 0.70 ACSS2 (0.46) NPC1RAB9AMEN1KMT2AACSS2
SCHEMBL2176865 0.70 ALOX5 (0.58) NPC1RAB9AMEN1KMT2AHRH3
SCHEMBL2362005 0.69 CYP3A4 (0.51) NPC1RAB9AMEN1KMT2AACSS2
SCHEMBL1855831 0.69 MAOB (0.62) NPC1RAB9AMEN1KMT2AHRH3
SCHEMBL8305195 0.69 AS3MT (0.50) NPC1RAB9AMEN1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745600-B1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-10-24 EP disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed