SCHEMBL6877874

SCHEMBL6877874

CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=O)c3ccc4ccccc4c3)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.59
ADRA2A P08913 9/20 0.55
HRH1 P35367 7/20 0.55
HTR2B P41595 7/20 0.55
ADRA1A P35348 4/20 0.54
CNR1 P21554 1/20 0.51
KCNH2 Q12809 1/20 0.51
AURKB Q96GD4 1/20 0.51
HTR1A P08908 1/20 0.49
NPY5R Q15761 1/20 0.49
DRD4 P21917 1/20 0.49

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
SCHEMBL6877882 1.00 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878850 0.88 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878847 0.88 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6872957 0.87 HPGDS (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6872964 0.87 HPGDS (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462390 0.87 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462401 0.87 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462387 0.85 MCHR1 (0.61) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456246 0.85 MCHR1 (0.74) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456238 0.85 MCHR1 (0.74) 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