SCHEMBL5267576

SCHEMBL5267576

COCC1C(=O)N(c2ccc(N3CCOCC3=O)c(C)c2)CC1NC(=O)Oc1ccc(Br)s1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.44
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5264991 0.93 F10 (0.46) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5266030 0.91 F10 (0.44) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5317437 0.91 F10 (0.44) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5318354 0.90 F10 (0.43) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5266099 0.89 F10 (0.43) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13632178 0.89 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4500387 0.89 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4509377 0.89 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5270366 0.89 F10 (0.44) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5265436 0.89 F10 (0.45) F10CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836198-A1 SUBSTITUTED PYRROLIDINONES HAVING AN ANTITHROMBOTIC EFFECT, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-09-26 EP claimed
WO-2006069946-A1 SUBSTITUTED PYRROLIDINONES HAVING AN ANTITHROMBOTIC EFFECT, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 WO claimed