SCHEMBL14436406

SCHEMBL14436406

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 13/20 0.50
▸ CYP3A4 P08684 2/20 0.40
▸ UGCG Q16739 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ MC3R P41968 4/20 0.39
▸ MC5R P33032 2/20 0.39
▸ MC1R Q01726 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ CALCA P06881 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
SCHEMBL14431084 0.95 MC4R (0.53) MC4RCYP3A4UGCGHRH2HRH1
SCHEMBL14431085 0.92 MC4R (0.42) MC4RHRH2HRH1PABPC1SCN9A
SCHEMBL14431450 0.91 HRH2 (0.46) MC4RHRH2HRH1PABPC1SCN9A
SCHEMBL14431138 0.87 HRH2 (0.48) MC4RCYP3A4UGCGHRH2HRH1
SCHEMBL14431445 0.86 MC4R (0.51) MC4RCYP3A4UGCGHRH2HRH1
SCHEMBL12713282 0.85 MC4R (0.42) MC4RCYP3A4UGCGMC3RMC5R
SCHEMBL12738196 0.84 MC4R (0.52) MC4RCYP3A4UGCGHRH2HRH1
SCHEMBL12738097 0.83 MC4R (0.55) MC4RCYP3A4UGCGHRH2HRH1
SCHEMBL12713143 0.83 MC4R (0.47) MC4RCYP3A4UGCGMC3RMC5R
SCHEMBL14435563 0.83 HDAC8 (0.48) MC4R

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-2007096186-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-08-30 — — WO disclosed
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