SCHEMBL9302862

SCHEMBL9302862

CCc1nc2ccccc2n1Cc1ccc(C(=O)N(C)C2CCCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.78
HRH3 Q9Y5N1 6/20 0.61
RAB9A P51151 1/20 0.53
AGTR1 P30556 3/20 0.53
AGTR2 P50052 3/20 0.53
CNR2 P34972 1/20 0.51
PPARG P37231 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP2D6 P10635 1/20 0.48
CHRM1 P11229 1/20 0.48
HRH1 P35367 1/20 0.48
DRD2 P14416 1/20 0.48
TBXA2R P21731 1/20 0.48

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
SCHEMBL9301610 0.88 PTAFR (1.00) PTAFRHRH3RAB9AHDAC1HDAC6
SCHEMBL9303313 0.87 PTAFR (0.70) PTAFRHRH3AGTR1AGTR2CNR2
SCHEMBL9305049 0.85 PTAFR (0.77) PTAFRHRH3CYP2D6CHRM1HRH1
SCHEMBL9301789 0.85 PTAFR (0.77) PTAFRHRH3HDAC1HDAC6CYP2D6
SCHEMBL9302757 0.85 PTAFR (0.77) PTAFRHRH3CYP2D6CHRM1HRH1
SCHEMBL9301924 0.85 PTAFR (0.80) PTAFRHRH3DRD2TBXA2R
SCHEMBL9302148 0.84 PTAFR (0.75) PTAFRHRH3CYP2D6CHRM1HRH1
SCHEMBL9301705 0.84 PTAFR (0.75) PTAFRHRH3CNR2CYP2D6CHRM1
SCHEMBL9302551 0.83 PTAFR (0.74) PTAFRHRH3CYP2D6CHRM1HRH1
SCHEMBL9303512 0.83 PTAFR (0.76) PTAFRHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed