SCHEMBL6876882

SCHEMBL6876882

CN(C)c1nc(NC2CCC(CNC(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)nc2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.39
ADRA2A P08913 4/20 0.39
ADRA1A P35348 2/20 0.39
HTR2B P41595 2/20 0.39
HRH1 P35367 1/20 0.39
HTR1A P08908 1/20 0.38
NPY5R Q15761 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35

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
SCHEMBL6874339 0.90 ADRA2A (0.44) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6880422 0.89 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL4034147 0.85 MCHR1 (0.57) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL4034150 0.85 MCHR1 (0.57) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6465515 0.83 HPGD (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6465514 0.83 HPGD (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6465511 0.83 HPGD (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6872959 0.82 MCHR1 (0.40) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6872955 0.82 MCHR1 (0.40) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875905 0.81 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1

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