SCHEMBL6877798

SCHEMBL6877798

CN(C)c1nc(NC2CCC(CNC(=O)c3cc(F)cc(F)c3)CC2)nc2c1CCCC2

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.65
ADRA2A P08913 7/20 0.56
ADRA1A P35348 4/20 0.56
HTR2B P41595 4/20 0.56
HRH1 P35367 3/20 0.56
HTR1A P08908 2/20 0.56
NPY5R Q15761 3/20 0.43
CACNA1H O95180 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
SCHEMBL6877794 1.00 MCHR1 (0.65) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878875 0.92 MCHR1 (0.66) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878870 0.92 MCHR1 (0.66) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868729 0.91 MCHR1 (0.58) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868725 0.91 MCHR1 (0.58) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875080 0.89 MCHR1 (0.71) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875077 0.89 MCHR1 (0.71) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6458206 0.88 MCHR1 (0.72) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6458197 0.88 MCHR1 (0.72) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL7110623 0.88 MCHR1 (0.66) MCHR1ADRA2AADRA1AHTR2BHRH1

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