SCHEMBL6874649

SCHEMBL6874649

COc1cc(F)c(CNCC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.48
ADRA2A P08913 7/20 0.48
NPY5R Q15761 5/20 0.48
APP P05067 2/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
CYP2D6 P10635 3/20 0.39
USP2 O75604 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
KDM1A O60341 1/20 0.39
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 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
SCHEMBL6874645 1.00 MCHR1 (0.48) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6873084 0.92 MCHR1 (0.47) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6873090 0.92 MCHR1 (0.47) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6880955 0.90 MCHR1 (0.49) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6880961 0.90 MCHR1 (0.49) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6868105 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6868098 0.90 MCHR1 (0.48) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6874094 0.89 MCHR1 (0.45) MCHR1ADRA2ANPY5RCYP2D6USP2
SCHEMBL6874098 0.89 MCHR1 (0.45) MCHR1ADRA2ANPY5RCYP2D6USP2
SCHEMBL6874814 0.88 MCHR1 (0.49) MCHR1ADRA2ANPY5RAPPBCHE

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