SCHEMBL6875950

SCHEMBL6875950

CN(C)c1ccnc(N[C@H]2CC[C@@H](CNCc3ccccc3OC(F)F)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.46
ADRA2A P08913 7/20 0.46
NPY5R Q15761 2/20 0.46
PROKR1 Q8TCW9 1/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
MAPK14 Q16539 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL6875956 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RPROKR1DRD2
SCHEMBL6462999 0.88 MCHR1 (0.46) MCHR1ADRA2ANPY5RDRD2DRD3
SCHEMBL6875398 0.88 MCHR1 (0.46) MCHR1ADRA2ANPY5RDRD2DRD3
SCHEMBL6878836 0.87 MCHR1 (0.57) MCHR1ADRA2ANPY5RDRD2DRD3
SCHEMBL6878830 0.87 MCHR1 (0.57) MCHR1ADRA2ANPY5RDRD2DRD3
SCHEMBL6877348 0.85 MCHR1 (0.43) MCHR1ADRA2ANPY5RDRD2DRD3
SCHEMBL6457420 0.85 MCHR1 (0.43) MCHR1ADRA2ANPY5RDRD2DRD3
SCHEMBL6874714 0.84 MCHR1 (0.42) MCHR1ADRA2ANPY5RDRD2DRD3
SCHEMBL6873498 0.84 MCHR1 (0.42) MCHR1ADRA2ANPY5RDRD2MAPK8
SCHEMBL6874708 0.84 MCHR1 (0.42) MCHR1ADRA2ANPY5RDRD2DRD3

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