SCHEMBL4738015

SCHEMBL4738015

CC(=O)NCCN(C(N)=O)c1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.46
PARP14 Q460N5 1/20 0.46
FASN P49327 8/20 0.40
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
HTR7 P34969 1/20 0.39
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL4199218 0.87 PARP10 (0.47) PARP10PARP14FASNNAMPTALDH1A1
SCHEMBL4738174 0.84 FASN (0.52) FASN
SCHEMBL4203212 0.81 FASN (0.53) FASN
SCHEMBL4196829 0.81 P2RY14 (0.45) FASNEGLN1LMNA
SCHEMBL4738617 0.81 PARP10 (0.45) PARP10PARP14FASNNAMPTALDH1A1
SCHEMBL4739507 0.81 FASN (0.52) FASN
SCHEMBL4207436 0.81 FASN (0.52) FASN
SCHEMBL4205017 0.80 FASN (0.53) FASN
SCHEMBL4203136 0.80 FASN (0.51) FASN
SCHEMBL4209385 0.79 FASN (0.49) FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008075064-A1 PIPERIDINE DERIVATIVES FOR THE TREATMENT OF OBESITY ASTRAZENECA AB (SE) 2008-06-26 WO disclosed