SCHEMBL6868704

SCHEMBL6868704

Cc1nc(N[C@H]2CC[C@@H](NC(=O)c3nccnc3N)CC2)nc(N(C)C)c1C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.59
ADRA2A P08913 14/20 0.48
HRH1 P35367 6/20 0.48
HTR2B P41595 6/20 0.48
ADRA1A P35348 4/20 0.46
HTR1A P08908 1/20 0.41
NPY5R Q15761 1/20 0.41
CNR1 P21554 1/20 0.40
KCNH2 Q12809 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL6868710 1.00 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878243 0.81 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877875 0.81 MCHR1 (0.62) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878236 0.81 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877869 0.81 MCHR1 (0.62) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL27632505 0.79 MCHR1 (0.64) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867964 0.79 MCHR1 (0.62) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867960 0.79 MCHR1 (0.62) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463094 0.78 MCHR1 (0.72) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463103 0.78 MCHR1 (0.72) 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