SCHEMBL7444664

SCHEMBL7444664

Cc1ccc2c(c1)ncn2-c1cccc(CN2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.56
FGFR1 P11362 5/20 0.54
SRC P12931 3/20 0.51
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NCF1 P14598 1/20 0.45
KDR P35968 1/20 0.45
BRD4 O60885 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 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
SCHEMBL8195404 0.78 FGFR1 (0.65) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL8194971 0.78 FGFR1 (0.65) HPGDFGFR1ALDH1A1NPC1GLA
Hydrochloric Acid SCHEMBL8194663 0.77 FGFR1 (0.63) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL7505408 0.76 CYP11B1 (0.61) HPGDFGFR1ALDH1A1GABRPGABRD
SCHEMBL7449598 0.76 HPGD (0.84) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL178443 0.75 NCF1 (0.66) HPGDALDH1A1SMN1; SMN2NCF1NOS1
SCHEMBL6801520 0.75 CNR1 (0.46) HPGDFGFR1SRCALDH1A1NPC1
SCHEMBL17678347 0.72 KDM4E (0.51) HPGDFGFR1SRCALDH1A1SMN1; SMN2
SCHEMBL7986978 0.72 FGFR1 (1.00) FGFR1SRCKDR
SCHEMBL4504294 0.72 FGFR1 (0.45) HPGDFGFR1SRCKDRGABRA1

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 4 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