SCHEMBL6878554

SCHEMBL6878554

CN(C)c1nc(NC2CCC(CNC(=O)c3cc(F)c(Cl)cc3Cl)CC2)nc2c1CCCC2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.50
ADRA2A P08913 7/20 0.50
ADRA1A P35348 4/20 0.50
HTR2B P41595 4/20 0.50
HRH1 P35367 3/20 0.50
HTR1A P08908 2/20 0.46
NPY5R Q15761 2/20 0.44
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6878550 1.00 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6877942 0.89 NPC1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6879504 0.89 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6877949 0.89 NPC1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6879509 0.89 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878240 0.89 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878235 0.89 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6880913 0.87 MCHR1 (0.62) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6880919 0.87 MCHR1 (0.62) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868262 0.86 MCHR1 (0.48) 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