SCHEMBL9682889

SCHEMBL9682889

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 14/20 0.64
L3MBTL1 Q9Y468 1/20 0.53
GNRHR P30968 2/20 0.48
DRD2 P14416 2/20 0.48
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46

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
SCHEMBL9683250 0.97 TBXA2R (0.66) TBXA2RL3MBTL1GNRHRDRD2CTSG
SCHEMBL9682472 0.87 TBXA2R (0.57) TBXA2RGNRHRDRD2AGTR1AGTR2
SCHEMBL9581575 0.84 TBXA2R (0.58) TBXA2RGNRHRDRD2AGTR1AGTR2
SCHEMBL9683188 0.82 L3MBTL1 (0.74) TBXA2RL3MBTL1DRD2CTSGCMA1
SCHEMBL9699174 0.79 PTGDR2 (0.55) TBXA2RGNRHRDRD2AGTR1AGTR2
SCHEMBL5107355 0.74 PTGDR2 (0.75)
SCHEMBL9681251 0.74 L3MBTL1 (0.53) TBXA2RL3MBTL1DRD2CTSGCMA1
SCHEMBL9699251 0.73 HPGD (0.54) TBXA2RL3MBTL1
SCHEMBL9682425 0.73 TBXA2R (1.00) TBXA2R
SCHEMBL9683001 0.71 CTSG (0.66) TBXA2RL3MBTL1DRD2CTSGCMA1

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 disclosed
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