SCHEMBL6880422

SCHEMBL6880422

CN(C)c1nc(NC2CCC(CNC(=O)OCc3ccccc3)CC2)nc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.43
ADRA2A P08913 5/20 0.43
NPY5R Q15761 2/20 0.43
ADRA1A P35348 2/20 0.42
HTR2B P41595 2/20 0.42
HRH1 P35367 1/20 0.42
HTR1A P08908 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.38
GAA P10253 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
SCHEMBL6876882 0.89 MCHR1 (0.39) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL7046594 0.89 ALDH1A1 (0.50) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6463063 0.88 NPY5R (0.41) MCHR1NPY5RALDH1A1CYP1A2MEN1
SCHEMBL6463065 0.88 NPY5R (0.41) MCHR1NPY5RALDH1A1CYP1A2MEN1
SCHEMBL7041689 0.86 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL3947714 0.85 MCHR1 (0.58) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL3947716 0.85 MCHR1 (0.58) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6463839 0.84 MCHR1 (0.60) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6463836 0.84 MCHR1 (0.60) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6879328 0.84 MCHR1 (0.52) MCHR1ADRA2ANPY5RADRA1AHTR2B

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