SCHEMBL6879762

SCHEMBL6879762

COc1cc(Cl)ccc1CNC[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.47
ADRA2A P08913 6/20 0.47
NPY5R Q15761 2/20 0.47
HRH1 P35367 2/20 0.37
HTR2B P41595 2/20 0.37
ADRA1A P35348 1/20 0.37
CYP1A2 P05177 1/20 0.37
BCHE P06276 1/20 0.37
CYP3A4 P08684 1/20 0.37
ACHE P22303 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 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
SCHEMBL6879769 1.00 MCHR1 (0.47) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6880426 0.93 MCHR1 (0.43) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6880420 0.93 MCHR1 (0.43) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6867249 0.91 MCHR1 (0.48) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6867254 0.91 MCHR1 (0.48) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6878137 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6878131 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6867923 0.86 MCHR1 (0.45) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6867919 0.86 MCHR1 (0.45) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6874307 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RHRH1HTR2B

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