SCHEMBL5268720

SCHEMBL5268720

C#Cc1ccc(OC(=O)NC2CN(c3ccc(N4CCOCCC4=O)c(C)c3)C(=O)C2OC)s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.39
KMT2A Q03164 2/20 0.33
MAOB P27338 4/20 0.31
LMNA P02545 1/20 0.31
MAOA P21397 1/20 0.31
PTGS1 P23219 1/20 0.31
CALML3 P27482 1/20 0.31
SDHA P31040 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5266084 0.94 F10 (0.45) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4502528 0.89 F10 (0.46) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5264935 0.86 F10 (0.40) F10KMT2ALMNA
SCHEMBL5264574 0.85 F10 (0.46) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4498812 0.83 F10 (0.52) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5270366 0.83 F10 (0.44) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5271010 0.81 F10 (0.39) F10KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL5269523 0.81 F10 (0.38) F10KMT2AMAOBLMNAMAOA
SCHEMBL5271051 0.79 F10 (0.41) F10KMT2AKDM4EALDH1A1CYP2C9
SCHEMBL4510290 0.79 F10 (0.47) 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 4 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
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