SCHEMBL6876389

SCHEMBL6876389

CN(C)c1nc(NC2CCC(NCc3cccc4ccccc34)CC2)nc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.45
ADRA2A P08913 13/20 0.45
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
ACHE P22303 3/20 0.38
RAB9A P51151 1/20 0.38
NPY5R Q15761 2/20 0.36
HTR1A P08908 1/20 0.36
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
SCHEMBL6876384 1.00 MCHR1 (0.45) MCHR1ADRA2AL3MBTL1GAAACHE
SCHEMBL6867789 0.87 MCHR1 (0.46) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL28759293 0.87 MCHR1 (0.46) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6872140 0.86 MCHR1 (0.41) MCHR1ADRA2AACHENPY5RHTR1A
SCHEMBL6872137 0.86 MCHR1 (0.41) MCHR1ADRA2AACHENPY5RHTR1A
SCHEMBL6877262 0.86 ADRA2A (0.48) MCHR1ADRA2AACHENPY5R
SCHEMBL6460350 0.86 ADRA2A (0.48) MCHR1ADRA2AACHENPY5R
SCHEMBL6467595 0.85 LMNA (0.53) MCHR1ADRA2AACHEHTR1A
SCHEMBL6875174 0.85 LMNA (0.53) MCHR1ADRA2AACHEHTR1A
SCHEMBL6456933 0.83 MCHR1 (0.46) MCHR1ADRA2AL3MBTL1GAANPY5R

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