SCHEMBL6867924

SCHEMBL6867924

COc1ccc(C(=O)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.52
ADRA2A P08913 12/20 0.51
HRH1 P35367 5/20 0.50
HTR2B P41595 5/20 0.50
ADRA1A P35348 3/20 0.49
HTR1A P08908 1/20 0.49
NPY5R Q15761 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR1 P21554 1/20 0.46
KCNH2 Q12809 1/20 0.46
AURKB Q96GD4 1/20 0.46

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
SCHEMBL27632406 1.00 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6872938 0.90 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6872935 0.90 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6461930 0.90 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458814 0.90 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464515 0.89 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463344 0.89 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457775 0.86 MCHR1 (0.66) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878654 0.86 SIGMAR1 (0.47) MCHR1ADRA2AALDH1A1HTTKMT2A
SCHEMBL6457763 0.86 MCHR1 (0.66) 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