SCHEMBL6876367

SCHEMBL6876367

CCOc1ccc(CNCC2CCC(Nc3nccc(N(C)C)n3)CC2)c(OCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.43
ADRA2A P08913 4/20 0.43
NPY5R Q15761 2/20 0.43
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 2/20 0.35
ADRA1A P35348 2/20 0.35
HTR2B P41595 2/20 0.35
HRH1 P35367 1/20 0.35
DRD2 P14416 1/20 0.34
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
MAPK14 Q16539 1/20 0.33
VCP P55072 1/20 0.33
HTR1A P08908 1/20 0.33
KCNH2 Q12809 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL6457227 1.00 MCHR1 (0.43) MCHR1ADRA2ANPY5RNOS1NOS2
SCHEMBL6868902 0.94 MCHR1 (0.41) MCHR1ADRA2ANPY5RNOS1NOS2
SCHEMBL6461592 0.94 MCHR1 (0.41) MCHR1ADRA2ANPY5RNOS1NOS2
SCHEMBL6876624 0.91 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6876619 0.91 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6462999 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RDRD2MAPK14
SCHEMBL6875398 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RDRD2MAPK14
SCHEMBL6459873 0.88 APLNR (0.44) MCHR1ADRA2ANPY5RCNR1CNR2
SCHEMBL6874596 0.88 APLNR (0.44) MCHR1ADRA2ANPY5RCNR1CNR2
SCHEMBL6456397 0.85 MCHR1 (0.49) MCHR1ADRA2ANPY5RADRA1AHTR2B

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