SCHEMBL9682472

SCHEMBL9682472

CCOC(=O)CCCCSc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 12/20 0.57
PTGDR2 Q9Y5Y4 4/20 0.55
GNRHR P30968 2/20 0.51
DRD2 P14416 1/20 0.45
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44

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
SCHEMBL9581575 0.97 TBXA2R (0.58) TBXA2RPTGDR2GNRHRDRD2AGTR1
SCHEMBL9699174 0.93 PTGDR2 (0.55) TBXA2RPTGDR2GNRHRDRD2AGTR1
SCHEMBL9682889 0.87 TBXA2R (0.64) TBXA2RGNRHRDRD2AGTR1AGTR2
SCHEMBL5107355 0.85 PTGDR2 (0.75) PTGDR2
SCHEMBL9681428 0.84 PTGDR2 (0.71) TBXA2RPTGDR2DRD2
SCHEMBL9683250 0.84 TBXA2R (0.66) TBXA2RPTGDR2GNRHRDRD2AGTR1
SCHEMBL9771978 0.79 TBXA2R (0.50) TBXA2RGNRHRAGTR1AGTR2
SCHEMBL9771974 0.77 TBXA2R (0.52) TBXA2RGNRHRAGTR1AGTR2
SCHEMBL9682042 0.77 PTGDR2 (0.53) TBXA2RPTGDR2DRD2
SCHEMBL9700228 0.76 ALDH1A1 (0.60) TBXA2RPTGDR2

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-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 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