SCHEMBL8309013

SCHEMBL8309013

C=C(c1cccnc1)c1cc(CCNS(=O)(=O)c2ccccc2)cc(CCC(=O)OCC)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.68
TBXA2R P21731 8/20 0.53

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
SCHEMBL8304294 0.92 TBXAS1 (0.78) TBXAS1TBXA2R
SCHEMBL9177531 0.88 TBXAS1 (0.86) TBXAS1TBXA2R
SCHEMBL8308578 0.85 TBXAS1 (0.77) TBXAS1
SCHEMBL8309271 0.84 TBXAS1 (0.79) TBXAS1TBXA2R
SCHEMBL8309142 0.82 TBXAS1 (0.70) TBXAS1TBXA2R
SCHEMBL8309005 0.81 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8306769 0.81 TBXAS1 (0.63) TBXAS1
SCHEMBL8306012 0.79 TBXAS1 (0.79) TBXAS1TBXA2R
SCHEMBL9388030 0.79 TBXAS1 (0.42) TBXAS1
SCHEMBL11106768 0.79 ALDH1A1 (0.64) TBXAS1TBXA2R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579618-B1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LTD (GB) 1999-10-13 EP disclosed
US-5705523-A THROMBOXANE A2 SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-01-06 US disclosed
US-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 US disclosed
EP-0579618-A1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES Pfizer Limited (GB) 1994-01-26 EP disclosed
WO-1992017451-A1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LIMITED (GB) 1992-10-15 WO disclosed