SCHEMBL6867258

SCHEMBL6867258

CN(C)c1ccnc(NC2CCC(CNCc3cc(F)cc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.45
ADRA2A P08913 4/20 0.45
ADRA1A P35348 3/20 0.45
HTR2B P41595 2/20 0.45
HTR1A P08908 1/20 0.45
HRH1 P35367 2/20 0.41
NPY5R Q15761 1/20 0.39
MAP4K4 O95819 1/20 0.37
CCNT1 O60563 1/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 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
SCHEMBL6867250 1.00 MCHR1 (0.45) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6874476 0.84 MCHR1 (0.44) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6874481 0.84 MCHR1 (0.44) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6873319 0.83 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6873323 0.83 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL7046703 0.82 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL7046707 0.82 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6466329 0.81 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6466322 0.81 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6869172 0.80 CNR1 (0.45) 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