SCHEMBL6877404

SCHEMBL6877404

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)c3cccc(C(F)(F)F)c3F)CC2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.49
ADRA2A P08913 5/20 0.49
NPY5R Q15761 2/20 0.49
ACACB O00763 8/20 0.42
ACACA Q13085 7/20 0.42
ACP1 P24666 1/20 0.42
CNR2 P34972 1/20 0.41
AR P10275 1/20 0.41
ADRA1A P35348 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL6877406 1.00 MCHR1 (0.49) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6868954 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6868949 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6875585 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6875578 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6873140 0.89 MCHR1 (0.51) MCHR1ADRA2ANPY5RACP1ADRA1A
SCHEMBL6873144 0.89 MCHR1 (0.51) MCHR1ADRA2ANPY5RACP1ADRA1A
SCHEMBL6875431 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6875434 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RACACBACACA
SCHEMBL6877740 0.86 MCHR1 (0.49) MCHR1ADRA2ANPY5RACACBACACA

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