SCHEMBL14435628

SCHEMBL14435628

CC[C@@H](CN(C)C)Oc1cc(Cl)ccc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ MC4R P32245 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ CCR1 P32246 5/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ CYP51A1 Q16850 2/20 0.41
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CACNA1B Q00975 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ UGCG Q16739 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
SCHEMBL14435997 0.88 CCR1 (0.43) MC4RCCR1CYP51A1ALDH1A1CYP3A4
SCHEMBL14436003 0.88 CCR1 (0.43) MC4RCCR1CYP51A1ALDH1A1CYP3A4
SCHEMBL12713182 0.88 CALCA (0.46) MC4RCCR1CYP51A1ALDH1A1CYP3A4
SCHEMBL14435972 0.84 KMT2A (0.47) KMT2AMC4RMAPK1CCR1PABPC1
SCHEMBL14436006 0.83 ADAM17 (0.43) KMT2ACCR1CYP51A1ALDH1A1
SCHEMBL14436008 0.83 ADAM17 (0.43) KMT2ACCR1CYP51A1ALDH1A1
SCHEMBL14435596 0.83 AKT1 (0.43) —
SCHEMBL12713175 0.83 TP53 (0.45) KMT2AALDH1A1LMNA
SCHEMBL14435600 0.81 PABPC1 (0.46) KMT2AMC4RMAPK1CCR1PABPC1
SCHEMBL14435971 0.81 HRH2 (0.48) KMT2AMC4RMAPK1PABPC1CYP51A1

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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