SCHEMBL6874615

SCHEMBL6874615

CC(C)NC(=O)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.45
MAPK9 P45984 5/20 0.45
MAPK10 P53779 5/20 0.45
MCHR1 Q99705 14/20 0.41
ADRA2A P08913 11/20 0.41
HRH1 P35367 5/20 0.41
HTR2B P41595 5/20 0.41
ADRA1A P35348 3/20 0.40
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 1/20 0.37
NPY5R Q15761 1/20 0.37

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
SCHEMBL6874610 1.00 MAPK8 (0.45) MAPK8MAPK9MAPK10MCHR1ADRA2A
SCHEMBL6876501 0.90 MCHR1 (0.43) MAPK8MAPK9MAPK10MCHR1ADRA2A
SCHEMBL6876495 0.90 MCHR1 (0.43) MAPK8MAPK9MAPK10MCHR1ADRA2A
SCHEMBL6876804 0.88 MCHR1 (0.43) MAPK8MAPK9MAPK10MCHR1ADRA2A
SCHEMBL6876811 0.88 MCHR1 (0.43) MAPK8MAPK9MAPK10MCHR1ADRA2A
SCHEMBL6875593 0.87 EPHX1 (0.54) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875584 0.87 EPHX1 (0.54) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877604 0.86 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877601 0.86 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6455682 0.86 MCHR1 (0.44) 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