SCHEMBL6867807

SCHEMBL6867807

CN(C)c1ccnc(NC2CCC(NC(=O)c3ccccc3C(=O)c3cccc4ccccc34)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.49
ADRA2A P08913 10/20 0.45
HRH1 P35367 3/20 0.43
HTR2B P41595 3/20 0.43
ADRA1A P35348 2/20 0.43
KMT2A Q03164 1/20 0.42
DRD4 P21917 1/20 0.41

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
SCHEMBL6867804 1.00 MCHR1 (0.49) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877476 0.95 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877485 0.95 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462469 0.86 MCHR1 (0.45) MCHR1ADRA2AHRH1HTR2BKMT2A
SCHEMBL6462473 0.86 MCHR1 (0.45) MCHR1ADRA2AHRH1HTR2BKMT2A
SCHEMBL6868127 0.84 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6868132 0.84 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874497 0.83 MCHR1 (0.48) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874502 0.83 MCHR1 (0.48) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873378 0.82 GAA (0.54) 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