SCHEMBL6878243

SCHEMBL6878243

Cc1nc(NC2CCC(NC(=O)c3cnccn3)CC2)nc(N(C)C)c1C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.59
ADRA2A P08913 13/20 0.50
HRH1 P35367 5/20 0.50
HTR2B P41595 5/20 0.50
ADRA1A P35348 3/20 0.48
SMYD3 Q9H7B4 1/20 0.48
HTR1A P08908 1/20 0.41
NPY5R Q15761 1/20 0.41

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
SCHEMBL6878236 1.00 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867960 0.85 MCHR1 (0.62) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867964 0.85 MCHR1 (0.62) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6868704 0.81 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6868710 0.81 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6461810 0.80 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6466961 0.80 MCHR1 (0.63) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6461801 0.80 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6466972 0.80 MCHR1 (0.63) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875861 0.80 MCHR1 (0.71) MCHR1ADRA2AHRH1HTR2BADRA1A

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