SCHEMBL13632168

SCHEMBL13632168

CC(C)(C)OC(=O)N1CCN(c2ccc(N3CC(NC(=O)c4ccc(Br)s4)CC3=O)cc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
F10 P00742 5/20 0.41
BACE1 P56817 2/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAPK8 P45983 1/20 0.39
ENPP2 Q13822 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
SCHEMBL13632167 0.92 F10 (0.47) TP53LMNAKDM4EMAPTF10
SCHEMBL4492429 0.85 LMNA (0.50) TP53LMNAF10ENPP2
SCHEMBL4560255 0.84 TP53 (0.48) TP53LMNAF10ENPP2
SCHEMBL4505697 0.84 LMNA (0.48) TP53LMNAMAPTF10ENPP2
SCHEMBL4501332 0.81 F10 (0.53) TP53LMNAF10ENPP2
SCHEMBL4492374 0.81 F10 (0.52) TP53LMNAF10ENPP2
SCHEMBL4500589 0.81 LMNA (0.46) TP53LMNAF10ENPP2
SCHEMBL4490933 0.79 F10 (0.57) TP53LMNAF10ENPP2
SCHEMBL4500425 0.79 LMNA (0.46) TP53LMNAF10ENPP2
SCHEMBL4495243 0.79 TP53 (0.45) TP53LMNAF10ENPP2

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
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed