SCHEMBL6878486

SCHEMBL6878486

CN(C)c1nc(NC2CCC(CNC(=O)Cc3cccc4ccccc34)CC2)nc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.42
ADRA2A P08913 9/20 0.42
NPY5R Q15761 3/20 0.42
ADRA1A P35348 2/20 0.41
HTR2B P41595 2/20 0.41
HRH1 P35367 1/20 0.41
HPGD P15428 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
HTR1A P08908 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
SCHEMBL6878481 1.00 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL28759293 0.90 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6867789 0.90 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878444 0.89 MCHR1 (0.41) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878448 0.89 MCHR1 (0.41) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6880125 0.89 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877646 0.87 SMN1; SMN2 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877641 0.87 SMN1; SMN2 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL7041689 0.87 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL13793946 0.86 MCHR1 (0.55) 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