SCHEMBL9682913

SCHEMBL9682913

CCOC(=O)[C@H]1CC=CC[C@H]1c1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 13/20 0.76
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
ALOX5AP P20292 4/20 0.42
ADORA2B P29275 1/20 0.39

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
SCHEMBL9682918 1.00 TBXA2R (0.76) TBXA2RAGTR1AGTR2ALOX5APADORA2B
SCHEMBL9682925 1.00 TBXA2R (0.76) TBXA2RAGTR1AGTR2ALOX5APADORA2B
SCHEMBL9701541 0.89 TBXA2R (0.75) TBXA2RAGTR1AGTR2ALOX5AP
SCHEMBL9701545 0.89 TBXA2R (0.75) TBXA2RAGTR1AGTR2ALOX5AP
SCHEMBL9681438 0.87 TBXA2R (0.76) TBXA2RALOX5AP
SCHEMBL9681431 0.87 TBXA2R (0.76) TBXA2RALOX5AP
SCHEMBL9681427 0.87 TBXA2R (0.76) TBXA2RALOX5AP
SCHEMBL9682383 0.87 TBXA2R (1.00) TBXA2RAGTR1AGTR2ALOX5AP
SCHEMBL9682377 0.87 TBXA2R (1.00) TBXA2RAGTR1AGTR2ALOX5AP
SCHEMBL9682392 0.87 TBXA2R (1.00) TBXA2RAGTR1AGTR2ALOX5AP

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 claimed
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