SCHEMBL9682500

SCHEMBL9682500

O=C(O)C(C(C(=O)O)C1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CC1)C1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 0.71
AGTR1 P30556 1/20 0.50
AGTR2 P50052 1/20 0.50
ALOX5AP P20292 2/20 0.45

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
SCHEMBL9701513 0.84 TBXA2R (0.68) TBXA2RAGTR1AGTR2ALOX5AP
SCHEMBL9682497 0.83 TBXA2R (1.00) TBXA2RAGTR1AGTR2ALOX5AP
SCHEMBL9681351 0.83 TBXA2R (1.00) TBXA2RAGTR1AGTR2ALOX5AP
SCHEMBL9681973 0.81 TBXA2R (1.00) TBXA2RAGTR1AGTR2ALOX5AP
SCHEMBL9683272 0.80 TBXA2R (1.00) TBXA2RAGTR1AGTR2ALOX5AP
SCHEMBL9699166 0.78 TBXA2R (0.72) TBXA2RAGTR1AGTR2
SCHEMBL9682881 0.76 TBXA2R (0.69) TBXA2RAGTR1AGTR2
SCHEMBL9681429 0.73 TBXA2R (1.00) TBXA2R
SCHEMBL9682425 0.72 TBXA2R (1.00) TBXA2R
SCHEMBL9581584 0.71 TBXA2R (0.64) TBXA2RAGTR1AGTR2

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 1 patent. 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