SCHEMBL4684523

SCHEMBL4684523

COC(=O)c1cccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 11/20 0.43
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MC5R P33032 2/20 0.41
MC3R P41968 2/20 0.41
MC1R Q01726 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MCL1 Q07820 1/20 0.40
MAPK1 P28482 1/20 0.39
CFTR P13569 1/20 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
SCHEMBL4510268 0.91 MC4R (0.47) MC4RHTTSMN1; SMN2NPSR1MC5R
SCHEMBL4514985 0.87 MC4R (0.49) MC4RMC5RMC3RMC1RKMT2A
SCHEMBL4509514 0.84 MC4R (0.50) MC4RMC5RMC3RMC1RKMT2A
SCHEMBL4511084 0.84 MC4R (0.49) MC4RMC5RMC3RMC1RKMT2A
SCHEMBL4525703 0.83 KDM4E (0.48) MC4RSMN1; SMN2NPSR1MC5RMC3R
SCHEMBL4510034 0.82 MC4R (0.52) MC4RMC5RMC3RMC1RKMT2A
SCHEMBL4515752 0.82 MC4R (0.51) MC4RMC5RMC3RMC1RKMT2A
SCHEMBL4519772 0.82 MC4R (0.58) MC4RMC5RMC3RMC1RKMT2A
SCHEMBL4528335 0.82 MC4R (0.47) MC4RMC5RMC3RMC1RMCL1
SCHEMBL4517009 0.81 MC4R (0.51) MC4RMC5RMC3RMC1RKMT2A

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
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed