SCHEMBL5265451

SCHEMBL5265451

C#Cc1ccc(OC(=O)NC2(C)CC(=O)N(c3ccc(N4CCOCC4=O)c(C)c3)C2)s1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.48
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5271051 0.93 F10 (0.41) F10CYP2C9
SCHEMBL5267728 0.88 F10 (0.46) F10
SCHEMBL4503899 0.88 F10 (0.55) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5265552 0.85 F10 (0.41) F10
SCHEMBL5266654 0.83 F10 (0.36) F10
SCHEMBL4509603 0.81 F10 (0.48) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5263799 0.81 F10 (0.36) F10CYP2C9
SCHEMBL2766694 0.81 F10 (0.47) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5264574 0.79 F10 (0.46) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5266084 0.78 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 disclosed
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 disclosed