SCHEMBL6875434

SCHEMBL6875434

CN(C)c1cc(NC2CCC(CNC(=O)c3c(F)cccc3C(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.46
ADRA2A P08913 9/20 0.46
NPY5R Q15761 5/20 0.46
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ACP1 P24666 1/20 0.42
ADRA1A P35348 3/20 0.39
HTR2B P41595 3/20 0.39
HRH1 P35367 2/20 0.39
HTR1A P08908 2/20 0.39
ACACB O00763 2/20 0.39
ACACA Q13085 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6875431 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RCNR1CNR2
SCHEMBL6876767 0.93 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6876773 0.93 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877406 0.89 MCHR1 (0.49) MCHR1ADRA2ANPY5RCNR2ACP1
SCHEMBL6877404 0.89 MCHR1 (0.49) MCHR1ADRA2ANPY5RCNR2ACP1
SCHEMBL6876778 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6876783 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6873059 0.88 MCHR1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6873062 0.88 MCHR1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875542 0.86 NPY5R (0.45) 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