SCHEMBL9130577

SCHEMBL9130577

CCNC(=O)COc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SGMS1 Q86VZ5 10/20 0.64
F2 P00734 2/20 0.59
PLG P00747 1/20 0.59
TBXA2R P21731 4/20 0.57
HSD17B10 Q99714 1/20 0.52
HTT P42858 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
SCHEMBL9850482 0.89 SGMS1 (0.66) SGMS1F2PLGTBXA2R
SCHEMBL9127591 0.87 SGMS1 (0.76) SGMS1TBXA2RHTT
SCHEMBL9850678 0.86 F2 (0.64) SGMS1F2PLGTBXA2R
SCHEMBL9127503 0.86 TBXA2R (0.69) SGMS1F2PLGTBXA2R
SCHEMBL9850586 0.86 SGMS1 (0.56) SGMS1F2PLGTBXA2RHSD17B10
SCHEMBL9127768 0.85 TBXA2R (0.57) SGMS1F2PLGTBXA2R
SCHEMBL9850521 0.85 SGMS1 (0.60) SGMS1F2PLGTBXA2R
SCHEMBL9127508 0.85 F2 (0.68) SGMS1F2PLGTBXA2R
SCHEMBL10446945 0.85 F2 (0.66) SGMS1F2PLGTBXA2R
SCHEMBL9850395 0.85 SGMS1 (0.55) SGMS1F2PLGTBXA2RHSD17B10

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-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US claimed
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP claimed
US-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed