SCHEMBL6880608

SCHEMBL6880608

CCC(C(=O)NC1CCC(Nc2nccc(N(C)C)n2)CC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCHR1 Q99705 5/20 0.41
MAPK14 Q16539 3/20 0.40
GAA P10253 2/20 0.40
THRB P10828 1/20 0.40
MAPK8 P45983 3/20 0.40
CYP2C9 P11712 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL6880601 1.00 LMNA (0.41) LMNAHTTSMN1; SMN2MCHR1MAPK14
SCHEMBL6877430 0.90 MAPK8 (0.41) SMN1; SMN2MCHR1MAPK14MAPK8CYP2C9
SCHEMBL6877427 0.90 MAPK8 (0.41) SMN1; SMN2MCHR1MAPK14MAPK8CYP2C9
SCHEMBL6467590 0.89 MCHR1 (0.43) LMNAHTTSMN1; SMN2MCHR1MAPK14
SCHEMBL6467584 0.89 MCHR1 (0.43) LMNAHTTSMN1; SMN2MCHR1MAPK14
SCHEMBL6457914 0.88 CCR1 (0.43) MCHR1MAPK14MAPK8CYP2C9CCNE1
SCHEMBL6457922 0.88 CCR1 (0.43) MCHR1MAPK14MAPK8CYP2C9CCNE1
SCHEMBL6867727 0.84 TSHR (0.43) SMN1; SMN2MCHR1MAPK14GAAMAPK8
SCHEMBL6875290 0.84 HTT (0.45) HTTMCHR1MAPK14MAPK8CYP2C9
SCHEMBL6460241 0.83 ALDH1A1 (0.46) LMNAHTTMCHR1MAPK14MAPK8

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