SCHEMBL14431353

SCHEMBL14431353

CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccc(Cl)cc2OCCCN2CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 7/20 0.52
▸ HRH1 P35367 7/20 0.52
▸ KMT2A Q03164 2/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ MC4R P32245 1/20 0.41
▸ CALCA P06881 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ CYP51A1 Q16850 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CACNA1B Q00975 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ UGCG Q16739 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
SCHEMBL14435971 0.95 HRH2 (0.48) HRH2HRH1KMT2AMAPK1MC4R
SCHEMBL14431445 0.91 MC4R (0.51) HRH2HRH1MC4RCALCAKDM4E
SCHEMBL14435629 0.90 HRH2 (0.46) HRH2HRH1KMT2AMAPK1MC4R
SCHEMBL14431339 0.88 HRH2 (0.46) HRH2HRH1KMT2AMAPK1MC4R
SCHEMBL14431091 0.88 HRH2 (0.51) HRH2HRH1KMT2AMAPK1MC4R
SCHEMBL14431138 0.88 HRH2 (0.48) HRH2HRH1KMT2AMAPK1MC4R
SCHEMBL12738196 0.87 MC4R (0.52) HRH2HRH1KMT2AMAPK1MC4R
SCHEMBL14435972 0.86 KMT2A (0.47) HRH2HRH1KMT2AMAPK1MC4R
SCHEMBL12737362 0.86 MC4R (0.45) HRH2HRH1KMT2AMAPK1MC4R
SCHEMBL12737691 0.85 MC4R (0.44) HRH2HRH1KMT2AMAPK1MC4R

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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