SCHEMBL9683248

SCHEMBL9683248

CCC(CC)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 14/20 1.00
DRD2 P14416 2/20 0.54
MAPT P10636 1/20 0.54
AGTR1 P30556 2/20 0.54
AGTR2 P50052 2/20 0.54
TSPO P30536 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NOD2 Q9HC29 1/20 0.53
NOD1 Q9Y239 1/20 0.52

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
SCHEMBL9683504 0.88 TBXA2R (0.79) TBXA2RDRD2MAPTAGTR1AGTR2
SCHEMBL9683051 0.88 TBXA2R (0.78) TBXA2RDRD2MAPTAGTR1AGTR2
SCHEMBL9681794 0.87 TBXA2R (1.00) TBXA2R
SCHEMBL9681926 0.79 TBXA2R (0.87) TBXA2R
SCHEMBL9681834 0.79 TBXA2R (0.82) TBXA2RDRD2MAPTNOD2NOD1
SCHEMBL9683004 0.79 TBXA2R (0.64) TBXA2RDRD2MAPTAGTR1AGTR2
SCHEMBL9683131 0.78 TBXA2R (0.76) TBXA2RDRD2TSPOKDM4EALDH1A1
SCHEMBL9683093 0.78 TBXA2R (0.83) TBXA2R
SCHEMBL9681823 0.78 TBXA2R (0.83) TBXA2RMAPT
SCHEMBL8366844 0.77 RAB9A (0.76) TBXA2RDRD2MAPTNOD2NOD1

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
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed
US-5021443-A Noval benzimidazole and azabenzimiazole derivatives which are thromboxane receptor antagonists, their methods of preparation and pharmaceutical compositions in which they are present LABORATOIRES UPSA (FR) 1991-06-04 US disclosed