SCHEMBL6879228

SCHEMBL6879228

CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=O)c3ccccc3Cc3ccccc3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.46
CNR2 P34972 5/20 0.43
CNR1 P21554 4/20 0.43
ADRA2A P08913 4/20 0.42
HRH1 P35367 3/20 0.42
HTR2B P41595 3/20 0.42
ADRA1A P35348 1/20 0.42
MAPK8 P45983 2/20 0.42
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
BRD4 O60885 1/20 0.40

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
SCHEMBL6879239 1.00 MCHR1 (0.46) MCHR1CNR2CNR1ADRA2AHRH1
SCHEMBL6872974 0.91 MCHR1 (0.46) MCHR1CNR2CNR1ADRA2AHRH1
SCHEMBL6872971 0.91 MCHR1 (0.46) MCHR1CNR2CNR1ADRA2AHRH1
SCHEMBL6458733 0.89 MCHR1 (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458724 0.89 MCHR1 (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874959 0.87 MCHR1 (0.46) MCHR1CNR2CNR1ADRA2AHRH1
SCHEMBL6873378 0.83 GAA (0.54) MCHR1CNR1ADRA2AHRH1HTR2B
SCHEMBL6873370 0.83 GAA (0.54) MCHR1CNR1ADRA2AHRH1HTR2B
SCHEMBL6874037 0.83 AURKA (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874044 0.83 AURKA (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A

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