SCHEMBL6875396

SCHEMBL6875396

CCOc1ccc(C(=O)NC2CCC(Nc3nc(C)cc(N(C)C)n3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.75
ADRA2A P08913 6/20 0.73
HRH1 P35367 6/20 0.73
HTR2B P41595 5/20 0.73
ADRA1A P35348 3/20 0.73
CNR1 P21554 1/20 0.69
KCNH2 Q12809 1/20 0.69
AURKB Q96GD4 1/20 0.69
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL6875387 1.00 MCHR1 (0.75) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463044 0.91 CNR1 (0.80) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463036 0.91 CNR1 (0.80) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463248 0.90 MCHR1 (0.81) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463244 0.90 MCHR1 (0.81) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878436 0.89 CNR1 (0.83) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462560 0.87 MCHR1 (0.77) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462554 0.87 MCHR1 (0.77) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463657 0.87 MCHR1 (0.84) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463650 0.87 MCHR1 (0.84) 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