SCHEMBL6877485

SCHEMBL6877485

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.52
ADRA2A P08913 8/20 0.47
KMT2A Q03164 1/20 0.47
DRD4 P21917 3/20 0.46
ADRA1A P35348 2/20 0.45
HRH1 P35367 2/20 0.45
HTR2B P41595 2/20 0.45

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
SCHEMBL6877476 1.00 MCHR1 (0.52) MCHR1ADRA2AKMT2ADRD4ADRA1A
SCHEMBL6867804 0.95 MCHR1 (0.49) MCHR1ADRA2AKMT2ADRD4ADRA1A
SCHEMBL6867807 0.95 MCHR1 (0.49) MCHR1ADRA2AKMT2ADRD4ADRA1A
SCHEMBL6462473 0.87 MCHR1 (0.45) MCHR1ADRA2AKMT2AHRH1HTR2B
SCHEMBL6462469 0.87 MCHR1 (0.45) MCHR1ADRA2AKMT2AHRH1HTR2B
SCHEMBL6874497 0.85 MCHR1 (0.48) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6874502 0.85 MCHR1 (0.48) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6873378 0.84 GAA (0.54) MCHR1ADRA2AKMT2AADRA1AHRH1
SCHEMBL6873370 0.84 GAA (0.54) MCHR1ADRA2AKMT2AADRA1AHRH1
SCHEMBL6878280 0.84 MCHR1 (0.46) MCHR1ADRA2AADRA1AHRH1HTR2B

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