SCHEMBL7047084

SCHEMBL7047084

COc1cc(C)c(CNCC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.43
ADRA2A P08913 6/20 0.43
NPY5R Q15761 3/20 0.43
ADRA1A P35348 2/20 0.37
HTR2B P41595 2/20 0.37
HRH1 P35367 1/20 0.37
HTR1A P08908 1/20 0.37
EHMT2 Q96KQ7 7/20 0.35

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
SCHEMBL6463713 1.00 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878131 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878137 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875579 0.88 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875570 0.88 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6872909 0.87 MCHR1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877941 0.87 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877946 0.87 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6872913 0.87 MCHR1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6874307 0.87 MCHR1 (0.46) 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