SCHEMBL7449598

SCHEMBL7449598

Cc1ccc2c(c1)ncn2-c1cccc(C(=O)N2CCOCC2)c1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 18/20 0.84
ALDH1A1 P00352 3/20 0.67
RAB9A P51151 2/20 0.67
NPC1 O15118 1/20 0.67
GLA P06280 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67

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
SCHEMBL7447987 0.87 HPGD (0.69) HPGDALDH1A1RAB9ANPC1GLA
SCHEMBL7503886 0.86 HPGD (0.70) HPGDALDH1A1RAB9ANPC1GLA
SCHEMBL23680612 0.84 HPGD (0.82) HPGDALDH1A1RAB9ANPC1GLA
SCHEMBL23680648 0.81 HPGD (1.00) HPGDALDH1A1RAB9ANPC1GLA
SCHEMBL29480994 0.81 HPGD (1.00) HPGDALDH1A1RAB9ANPC1GLA
SCHEMBL22777191 0.81 HPGD (1.00) HPGDALDH1A1RAB9ANPC1GLA
SCHEMBL5900762 0.81 FGFR1 (0.68) HPGDALDH1A1RAB9ANPC1GLA
SCHEMBL23680651 0.77 HPGD (1.00) HPGDALDH1A1RAB9ANPC1GLA
SCHEMBL7444664 0.76 HPGD (0.56) HPGDALDH1A1RAB9ANPC1GLA
SCHEMBL7491 0.76 HPGD (0.71) HPGDALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071909-A Phenylbenzimidazole derivatives as ligands for GABA receptors MERCK SHARPE & DOHME LTD. (GB) 2000-06-06 US claimed
EP-0968191-A1 PHENYLBENZIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-01-05 EP claimed
WO-1998034923-A1 PHENYLBENZIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-08-13 WO claimed
US-6071909-A Phenylbenzimidazole derivatives as ligands for GABA receptors MERCK SHARPE & DOHME LTD. (GB) 2000-06-06 US disclosed
EP-0968191-A1 PHENYLBENZIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-01-05 EP disclosed
WO-1998034923-A1 PHENYLBENZIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-08-13 WO disclosed