SCHEMBL7353391

SCHEMBL7353391

COC(=O)CN1C(=O)C(NS(C)(=O)=O)CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.52
MME P08473 1/20 0.52
CCKBR P32239 5/20 0.51

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
SCHEMBL7389206 0.89 ACE (0.65) ACEMMECCKBR
SCHEMBL7356075 0.87 F2 (0.54) ACEMME
SCHEMBL7359930 0.84 ACE (0.59) ACEMMECCKBR
SCHEMBL8056283 0.81 ACE (0.58) ACEMMECCKBR
SCHEMBL2222575 0.80 OPRL1 (0.50) ACEMMECCKBR
SCHEMBL7356369 0.80 OPRL1 (0.50) ACEMMECCKBR
SCHEMBL8679247 0.79 CCKBR (0.61) ACECCKBR
SCHEMBL10200771 0.78 XIAP (0.56) ACEMME
SCHEMBL7358218 0.76 ACE (0.64) ACEMME
SCHEMBL7352373 0.75 ACE (0.49) ACEMMECCKBR

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-6228854-B1 1-BENZAZEPINE DERIVATIVE ANTICOAGULANTS; STROKE PREVENTION COR THERAPEUTICS, INC. 2001-05-08 US disclosed
EP-0994894-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 2000-04-26 EP disclosed
WO-1999007731-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 1999-02-18 WO disclosed