SCHEMBL5265157

SCHEMBL5265157

CC1(NC(=O)Oc2ccc(Br)s2)CC(=O)N(c2ccc(N3CCOCC3=O)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.45
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.36
ABCB11 O95342 1/20 0.35
F2 P00734 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35

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
SCHEMBL5266197 0.92 F10 (0.37) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4508547 0.85 F10 (0.57) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5263799 0.82 F10 (0.36) F10CYP2C9
SCHEMBL5267728 0.80 F10 (0.46) F10F2
SCHEMBL5265451 0.78 F10 (0.48) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5266654 0.78 F10 (0.36) F10PTGS2
SCHEMBL4512486 0.77 F10 (0.47) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5314273 0.77 F10 (0.42) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4507911 0.76 F10 (0.53) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5265597 0.75 F10 (0.48) 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