SCHEMBL6875973

SCHEMBL6875973

CN(C)c1nc(NC2CCC(NC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)nc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.43
ADRA2A P08913 8/20 0.43
HTR2B P41595 5/20 0.43
HRH1 P35367 4/20 0.43
RAB9A P51151 3/20 0.41
ADRA1A P35348 4/20 0.40
HTR1A P08908 2/20 0.38
NPY5R Q15761 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL6875970 1.00 MCHR1 (0.43) MCHR1ADRA2AHTR2BHRH1RAB9A
SCHEMBL6880291 0.90 MCHR1 (0.45) MCHR1ADRA2AHTR2BHRH1RAB9A
SCHEMBL6880293 0.90 MCHR1 (0.45) MCHR1ADRA2AHTR2BHRH1RAB9A
SCHEMBL6460846 0.90 MEN1 (0.40) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868409 0.90 MCHR1 (0.44) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6460838 0.90 MEN1 (0.40) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868412 0.90 MCHR1 (0.44) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874197 0.89 RAB9A (0.54) MCHR1ADRA2AHTR2BHRH1RAB9A
SCHEMBL6460292 0.89 MCHR1 (0.48) MCHR1ADRA2AHTR2BHRH1RAB9A
SCHEMBL6874204 0.89 RAB9A (0.54) MCHR1ADRA2AHTR2BHRH1RAB9A

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