SCHEMBL6875182

SCHEMBL6875182

CN(C)c1ccnc(NC2CCC(CNC(=O)c3c(F)cccc3C(F)(F)F)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.50
ADRA2A P08913 4/20 0.47
ADRA1A P35348 3/20 0.47
HTR2B P41595 2/20 0.47
HRH1 P35367 2/20 0.47
HTR1A P08908 1/20 0.47
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45
NPY5R Q15761 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
EPHX2 P34913 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL6875176 1.00 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873783 0.92 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873779 0.92 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878626 0.88 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878633 0.88 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6880763 0.88 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6880767 0.88 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876236 0.86 MCHR1 (0.57) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876240 0.86 MCHR1 (0.57) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6867719 0.85 MCHR1 (0.53) MCHR1ADRA2AADRA1AHTR2BHRH1

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