SCHEMBL14435629

SCHEMBL14435629

Cc1ccc(C2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)OC(C)(C)C)CC2)c(OCCN2CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 3/20 0.46
▸ HRH1 P35367 3/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ CALCA P06881 2/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ P2RX7 Q99572 2/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ MC4R P32245 2/20 0.39
▸ MC5R P33032 1/20 0.38
▸ MC3R P41968 1/20 0.38
▸ MC1R Q01726 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 0.95 HRH2 (0.48) HRH2HRH1KMT2AMAPK1CALCA
SCHEMBL14431353 0.90 HRH2 (0.52) HRH2HRH1KMT2AMAPK1CALCA
SCHEMBL14431091 0.90 HRH2 (0.51) HRH2HRH1KMT2AMAPK1PABPC1
SCHEMBL14431339 0.89 HRH2 (0.46) HRH2HRH1KMT2AMAPK1PABPC1
SCHEMBL12737362 0.87 MC4R (0.45) HRH2HRH1KMT2AMAPK1MEN1
SCHEMBL12738196 0.86 MC4R (0.52) HRH2HRH1KMT2AMAPK1CALCA
SCHEMBL12737691 0.85 MC4R (0.44) HRH2HRH1KMT2AMAPK1PABPC1
SCHEMBL13003021 0.84 MC4R (0.43) HRH2HRH1KMT2AMAPK1MEN1
SCHEMBL14436416 0.84 AKT1 (0.47) HRH2HRH1KMT2AMEN1ALDH1A1
SCHEMBL14435262 0.83 HRH2 (0.43) HRH2HRH1CALCACYP51A1

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
Send feedback