SCHEMBL6873166

SCHEMBL6873166

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)NCc3ccc(Cl)c(Cl)c3)CC2)nc2c1CCCC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.50
ADRA2A P08913 10/20 0.50
MAPK1 P28482 2/20 0.45
HRH1 P35367 4/20 0.44
HTR2B P41595 4/20 0.44
EPHX1 P07099 1/20 0.41
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
NPY5R Q15761 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
SCHEMBL6873172 1.00 MCHR1 (0.50) MCHR1ADRA2AMAPK1HRH1HTR2B
SCHEMBL6873184 0.89 ADRA2A (0.46) MCHR1ADRA2AMAPK1HRH1HTR2B
SCHEMBL6873178 0.89 ADRA2A (0.46) MCHR1ADRA2AMAPK1HRH1HTR2B
SCHEMBL6460437 0.88 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL6462013 0.88 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL6875033 0.87 EPHX1 (0.51) MCHR1ADRA2AHRH1HTR2BEPHX1
SCHEMBL6880005 0.87 RAB9A (0.55) MCHR1ADRA2AMAPK1HRH1HTR2B
SCHEMBL6879998 0.87 RAB9A (0.55) MCHR1ADRA2AMAPK1HRH1HTR2B
SCHEMBL6875039 0.87 EPHX1 (0.51) MCHR1ADRA2AHRH1HTR2BEPHX1
SCHEMBL6875251 0.87 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BEPHX1

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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed