SCHEMBL9129284

SCHEMBL9129284

O=C(O)CNCCOc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.66
F2 P00734 2/20 0.65
PLG P00747 1/20 0.59
TBXAS1 P24557 4/20 0.55
SGMS1 Q86VZ5 2/20 0.52
PRMT1 Q99873 2/20 0.49
AKR1C3 P42330 1/20 0.49

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
SCHEMBL9131977 0.90 TBXA2R (0.72) TBXA2RF2PLGTBXAS1SGMS1
SCHEMBL9127503 0.88 TBXA2R (0.69) TBXA2RF2PLGTBXAS1SGMS1
SCHEMBL9128576 0.88 F2 (0.67) TBXA2RF2PLGTBXAS1SGMS1
SCHEMBL9131115 0.88 F2 (0.60) TBXA2RF2PLGTBXAS1SGMS1
SCHEMBL9129898 0.86 F2 (0.68) TBXA2RF2PLGSGMS1PRMT1
SCHEMBL9836463 0.85 TBXA2R (0.65) TBXA2RF2PLGTBXAS1SGMS1
SCHEMBL9850482 0.85 SGMS1 (0.66) TBXA2RF2PLGTBXAS1SGMS1
SCHEMBL9127524 0.84 F2 (0.66) TBXA2RF2PLGTBXAS1SGMS1
SCHEMBL9128469 0.84 F2 (0.63) TBXA2RF2PLGSGMS1PRMT1
SCHEMBL9128662 0.83 F2 (0.66) TBXA2RF2PLGTBXAS1SGMS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP disclosed
EP-0564499-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1993-10-13 EP disclosed
WO-1992011234-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-07-09 WO disclosed