SCHEMBL14431339

SCHEMBL14431339

CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2cc(F)c(F)cc2OCCN2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 3/20 0.46
▸ HRH1 P35367 3/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ MC4R P32245 6/20 0.39
▸ MC5R P33032 3/20 0.39
▸ MC3R P41968 3/20 0.39
▸ MC1R Q01726 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CACNA1B Q00975 1/20 0.38
▸ SCN7A Q01118 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ CYP51A1 Q16850 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
SCHEMBL14435971 0.91 HRH2 (0.48) HRH2HRH1KMT2AMAPK1PABPC1
SCHEMBL14431446 0.91 MC4R (0.49) HRH2HRH1KMT2AMC4RMC5R
SCHEMBL14435629 0.89 HRH2 (0.46) HRH2HRH1KMT2AMAPK1PABPC1
SCHEMBL14431353 0.88 HRH2 (0.52) HRH2HRH1KMT2AMAPK1PABPC1
SCHEMBL14431091 0.88 HRH2 (0.51) HRH2HRH1KMT2AMAPK1PABPC1
SCHEMBL12737691 0.85 MC4R (0.44) HRH2HRH1KMT2AMAPK1PABPC1
SCHEMBL14431448 0.83 AKT1 (0.44) HRH2HRH1MC4RMC3RMC1R
SCHEMBL12738196 0.82 MC4R (0.52) HRH2HRH1KMT2AMAPK1MC4R
SCHEMBL12737362 0.82 MC4R (0.45) HRH2HRH1KMT2AMAPK1PABPC1
SCHEMBL14431450 0.81 HRH2 (0.46) HRH2HRH1KMT2AMAPK1PABPC1

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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