SCHEMBL6876287

SCHEMBL6876287

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.50
ADRA2A P08913 7/20 0.50
HRH1 P35367 7/20 0.50
HTR2B P41595 6/20 0.50
ADRA1A P35348 4/20 0.50
CNR1 P21554 1/20 0.47
KCNH2 Q12809 1/20 0.47
AURKB Q96GD4 1/20 0.47
MAPK8 P45983 4/20 0.45
MAPK14 Q16539 1/20 0.45
MAPK9 P45984 2/20 0.43
MAPK10 P53779 2/20 0.43
CYP2C9 P11712 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL6876294 1.00 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6455641 0.88 MCHR1 (0.48) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878850 0.87 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878847 0.87 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6868634 0.86 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6868640 0.86 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6872491 0.85 MCHR1 (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6872496 0.85 MCHR1 (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874044 0.85 AURKA (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874037 0.85 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