SCHEMBL9657455

SCHEMBL9657455

CCOc1ccc(C(=O)CCCCl)cc1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.83
L3MBTL1 Q9Y468 3/20 0.63
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.56
TP53 P04637 2/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
PARP10 Q53GL7 1/20 0.56
MAPT P10636 4/20 0.55
USP2 O75604 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PLK1 P53350 1/20 0.53
RAB9A P51151 2/20 0.53
MMP1 P03956 1/20 0.51
GAA P10253 1/20 0.50
PLA2G4B P0C869 1/20 0.50

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
SCHEMBL11705672 0.88 L3MBTL1 (0.76) NPC1L3MBTL1ALDH1A1LMNATP53
SCHEMBL19043463 0.86 NPC1 (0.83) NPC1L3MBTL1MMP1
SCHEMBL3032173 0.85 NPC1 (0.81) NPC1L3MBTL1ALDH1A1LMNATP53
SCHEMBL11263173 0.85 NPC1 (0.81) NPC1L3MBTL1
SCHEMBL11825763 0.85 NPC1 (0.81) NPC1L3MBTL1ALDH1A1LMNATP53
SCHEMBL8098836 0.85 NPC1 (0.87) NPC1L3MBTL1ALDH1A1LMNATP53
SCHEMBL7923674 0.85 NPC1 (0.81) NPC1L3MBTL1ALDH1A1LMNATP53
SCHEMBL319315 0.84 PDE4B (0.70) NPC1L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL20382633 0.83 NPC1 (0.78) NPC1L3MBTL1ALDH1A1LMNATP53
SCHEMBL7244974 0.82 L3MBTL1 (0.71) NPC1L3MBTL1TP53TSHRMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171858-A Preparation of certain 5,6-dihydro-8-phenyl-imidazo[1,5-a]pyridines SCHERING A.G. (DE) 1992-12-15 US disclosed
US-5171859-A Certain 2-aminomethyl-3-phenyl-pyridine intermediates for certain 8-phenyl-imidazo[1,5-a]pyridines SCHERING A.G. (DE) 1992-12-15 US disclosed
US-5026712-A Novel imidazo[1,5-a]pyridines, useful as cardiovascular and CNS agents SCHERING AG (DE) 1991-06-25 US disclosed
US-4025558-A SPIRO(CYCLOHEXANE-1,1*(2'H)-NAPHTHALENE); BENZOSPIRAN DERIVATIVES; CNS DEPRESSANTS, LOWERS BLOOD PRESSURE THE UPJOHN COMPANY (US) 1977-05-24 US disclosed
US-4010201-A AMINOBENZOSPIRANS, CENTRAL NERVOUS SYSTEM DEPRESSANT, HYPOTENSIVE THE UPJOHN COMPANY (US) 1977-03-01 US disclosed
US-3965257-A DIPHENYL-4-PIPERIDYL-METHANES RICHARDSON-MERRELL INC. (US) 1976-06-22 US disclosed
US-3965180-A CNS DEPRESSANT THE UPJOHN COMPANY (US) 1976-06-22 US disclosed
US-3960961-A 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts thereof THE UPJOHN COMPANY (US) 1976-06-01 US disclosed
US-3932425-A CNS DEPRESSANT, BLOOD PRESSURE LOWERING THE UPJOHN COMPANY (US) 1976-01-13 US disclosed