SCHEMBL6867254

SCHEMBL6867254

COc1ccc(CNCC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.48
ADRA2A P08913 5/20 0.48
NPY5R Q15761 2/20 0.48
APLNR P35414 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL6867249 1.00 MCHR1 (0.48) MCHR1ADRA2ANPY5RAPLNRKMT2A
SCHEMBL6873945 0.93 MCHR1 (0.44) MCHR1ADRA2ANPY5RKMT2AMAPT
SCHEMBL6457972 0.93 MCHR1 (0.44) MCHR1ADRA2ANPY5RKMT2AMAPT
SCHEMBL6879762 0.91 MCHR1 (0.47) MCHR1ADRA2ANPY5RMAPTFLT3
SCHEMBL6879769 0.91 MCHR1 (0.47) MCHR1ADRA2ANPY5RMAPTFLT3
SCHEMBL6878131 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6874201 0.89 ADRA2A (0.45) MCHR1ADRA2AAPLNRKMT2AMEN1
SCHEMBL6874187 0.89 ADRA2A (0.45) MCHR1ADRA2AAPLNRKMT2AMEN1
SCHEMBL6878137 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6873512 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RTSHRADRA1A

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