SCHEMBL6879061

SCHEMBL6879061

COCCN(C[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.43
ADRA2A P08913 11/20 0.41
PDE10A Q9Y233 1/20 0.40
NPY5R Q15761 4/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 2/20 0.39
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 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
SCHEMBL6868735 0.90 MCHR1 (0.43) MCHR1ADRA2APDE10ANPY5RKDM4E
SCHEMBL6868730 0.90 MCHR1 (0.43) MCHR1ADRA2APDE10ANPY5RKDM4E
SCHEMBL6874957 0.85 MCHR1 (0.45) MCHR1ADRA2APDE10ANPY5RKDM4E
SCHEMBL6874951 0.85 MCHR1 (0.45) MCHR1ADRA2APDE10ANPY5RKDM4E
SCHEMBL6867750 0.85 MCHR1 (0.45) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6867756 0.85 MCHR1 (0.45) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6867422 0.84 MCHR1 (0.44) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6867425 0.84 MCHR1 (0.44) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6877437 0.83 MCHR1 (0.43) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6877444 0.83 MCHR1 (0.43) MCHR1ADRA2ANPY5RKDM4ELMNA

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