SCHEMBL14431445

SCHEMBL14431445

CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccc(Cl)cc2OCCCN2CCCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 3/20 0.51
▸ HRH2 P25021 7/20 0.46
▸ HRH1 P35367 7/20 0.46
▸ CYP3A4 P08684 1/20 0.41
▸ UGCG Q16739 1/20 0.41
▸ F10 P00742 2/20 0.41
▸ CALCA P06881 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MC3R P41968 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
SCHEMBL12738196 0.96 MC4R (0.52) MC4RHRH2HRH1CYP3A4UGCG
SCHEMBL14431353 0.91 HRH2 (0.52) MC4RHRH2HRH1CYP3A4UGCG
SCHEMBL12738097 0.90 MC4R (0.55) MC4RHRH2HRH1CYP3A4UGCG
SCHEMBL14431446 0.89 MC4R (0.49) MC4RHRH2HRH1CYP3A4UGCG
SCHEMBL12737362 0.89 MC4R (0.45) MC4RHRH2HRH1CALCA
SCHEMBL14431084 0.89 MC4R (0.53) MC4RHRH2HRH1CYP3A4UGCG
SCHEMBL12713110 0.89 CALCA (0.46) MC4RCYP3A4UGCGF10CALCA
SCHEMBL12737691 0.88 MC4R (0.44) MC4RHRH2HRH1MC3R
SCHEMBL12713089 0.88 CALCA (0.45) MC4RCYP3A4UGCGF10CALCA
SCHEMBL14435971 0.87 HRH2 (0.48) MC4RHRH2HRH1CYP3A4UGCG

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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