SCHEMBL9701541

SCHEMBL9701541

CCOC(=O)C1CCC1c1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 11/20 0.75
ALOX5AP P20292 5/20 0.45
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL9701545 1.00 TBXA2R (0.75) TBXA2RALOX5APAGTR1AGTR2ALDH1A1
SCHEMBL9681427 0.94 TBXA2R (0.76) TBXA2RALOX5AP
SCHEMBL9681431 0.94 TBXA2R (0.76) TBXA2RALOX5AP
SCHEMBL9681438 0.94 TBXA2R (0.76) TBXA2RALOX5AP
SCHEMBL9682913 0.89 TBXA2R (0.76) TBXA2RALOX5APAGTR1AGTR2
SCHEMBL9682925 0.89 TBXA2R (0.76) TBXA2RALOX5APAGTR1AGTR2
SCHEMBL9682918 0.89 TBXA2R (0.76) TBXA2RALOX5APAGTR1AGTR2
SCHEMBL9699150 0.86 TBXA2R (1.00) TBXA2RALOX5AP
SCHEMBL9682427 0.86 TBXA2R (1.00) TBXA2RALOX5AP
SCHEMBL9683587 0.81 TBXA2R (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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