SCHEMBL14431084

SCHEMBL14431084

CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccc(Cl)cc2CCCN2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 10/20 0.53
▸ UGCG Q16739 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HRH2 P25021 2/20 0.42
▸ HRH1 P35367 2/20 0.42
▸ MC3R P41968 4/20 0.41
▸ MC5R P33032 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CALCA P06881 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MC1R Q01726 1/20 0.39
▸ EPHX2 P34913 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
SCHEMBL14436406 0.95 MC4R (0.50) MC4RUGCGCYP3A4HRH2HRH1
SCHEMBL14431138 0.92 HRH2 (0.48) MC4RUGCGCYP3A4HRH2HRH1
SCHEMBL14431445 0.89 MC4R (0.51) MC4RUGCGCYP3A4HRH2HRH1
SCHEMBL14431085 0.89 MC4R (0.42) MC4RHRH2HRH1KMT2AMAPK1
SCHEMBL12713143 0.87 MC4R (0.47) MC4RUGCGCYP3A4MC3RMC5R
SCHEMBL14436414 0.87 UGCG (0.43) MC4RUGCGCYP3A4CALCAEPHX2
SCHEMBL12738196 0.87 MC4R (0.52) MC4RUGCGCYP3A4HRH2HRH1
SCHEMBL14431450 0.86 HRH2 (0.46) MC4RHRH2HRH1KMT2ACALCA
SCHEMBL12713158 0.85 MC4R (0.47) MC4RUGCGCYP3A4MC3RMC5R
SCHEMBL12738097 0.84 MC4R (0.55) MC4RUGCGCYP3A4HRH2HRH1

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
WO-2007096186-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-08-30 — — WO disclosed
EP-1826201-A1 Substituted phenylpiperidine derivatives as melanocortin-4 receptor modulators Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-08-29 — — EP disclosed
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