SCHEMBL9682056

SCHEMBL9682056

CCOC(=O)CC(C)(C)Cc1nc2cc(F)ccc2n1Cc1ccc(OC)cc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 16/20 0.80
AGTR1 P30556 1/20 0.48
AGTR2 P50052 1/20 0.48
ALOX5AP P20292 3/20 0.47

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
SCHEMBL9681858 0.91 TBXA2R (0.77) TBXA2RAGTR1AGTR2
SCHEMBL9683103 0.90 TBXA2R (0.79) TBXA2RALOX5AP
SCHEMBL9681962 0.90 TBXA2R (0.78) TBXA2RAGTR1AGTR2ALOX5AP
SCHEMBL9683125 0.89 TBXA2R (1.00) TBXA2RALOX5AP
SCHEMBL9683030 0.88 TBXA2R (0.78) TBXA2RAGTR1AGTR2ALOX5AP
SCHEMBL9682478 0.88 TBXA2R (0.78) TBXA2RAGTR1AGTR2
SCHEMBL9681901 0.88 TBXA2R (0.62) TBXA2RALOX5AP
SCHEMBL9682595 0.88 TBXA2R (0.70) TBXA2RALOX5AP
SCHEMBL9681897 0.87 TBXA2R (0.78) TBXA2RALOX5AP
SCHEMBL9683508 0.84 TBXA2R (0.62) TBXA2RALOX5AP

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