SCHEMBL6873247

SCHEMBL6873247

CCc1cccc(C(C)C)c1NC(=S)NC1CCC(Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.37
HTT P42858 1/20 0.36
GLA P06280 1/20 0.35
ADRA2A P08913 3/20 0.34
HRH1 P35367 3/20 0.34
HTR2B P41595 3/20 0.34
ADRA1A P35348 2/20 0.34
MAPK14 Q16539 2/20 0.34
ALOX12 P18054 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL6873242 1.00 MCHR1 (0.37) MCHR1HTTGLAADRA2AHRH1
SCHEMBL6874211 0.92 MCHR1 (0.41) MCHR1HTTADRA2AHRH1HTR2B
SCHEMBL6874218 0.92 MCHR1 (0.41) MCHR1HTTADRA2AHRH1HTR2B
SCHEMBL6868958 0.90 EPHX2 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6868955 0.90 EPHX2 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6880295 0.88 ALOX12 (0.44) MCHR1HTTGLAADRA2AHRH1
SCHEMBL6875325 0.88 ALOX12 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6880292 0.88 ALOX12 (0.44) MCHR1HTTGLAADRA2AHRH1
SCHEMBL6875329 0.88 ALOX12 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457203 0.84 MCHR1 (0.40) 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