SCHEMBL6875388

SCHEMBL6875388

Cc1ccc(C(=O)NC2CCC(CNc3nc(C)cc(N(C)C)n3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.64
ADRA2A P08913 4/20 0.64
HRH1 P35367 4/20 0.64
HTR2B P41595 3/20 0.64
ADRA1A P35348 2/20 0.64
CNR1 P21554 1/20 0.55
KCNH2 Q12809 1/20 0.55
AURKB Q96GD4 1/20 0.55
VCP P55072 2/20 0.50
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSPB1 P04792 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
CRHR1 P34998 1/20 0.44

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
SCHEMBL6875382 1.00 MCHR1 (0.64) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464646 0.92 MCHR1 (0.62) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464648 0.92 MCHR1 (0.62) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL7037175 0.92 MCHR1 (0.63) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL7037171 0.92 MCHR1 (0.63) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874704 0.90 MCHR1 (0.66) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875655 0.90 CNR1 (0.64) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874707 0.90 MCHR1 (0.66) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875663 0.90 CNR1 (0.64) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873457 0.89 MCHR1 (0.59) 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