SCHEMBL6878587

SCHEMBL6878587

CN(C)c1ccnc(NC2CCC(CNC(=O)c3cc(C(F)(F)F)ccc3F)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.54
ADRA2A P08913 4/20 0.53
ADRA1A P35348 3/20 0.53
HTR2B P41595 2/20 0.53
HTR1A P08908 1/20 0.53
HRH1 P35367 2/20 0.51
NPY5R Q15761 1/20 0.42
CRHR1 P34998 6/20 0.42

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
SCHEMBL6878581 1.00 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6878460 0.88 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878466 0.88 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6467032 0.86 MCHR1 (0.70) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6467026 0.86 MCHR1 (0.70) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6874476 0.83 MCHR1 (0.44) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6874481 0.83 MCHR1 (0.44) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6464732 0.83 MCHR1 (0.77) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6464738 0.83 MCHR1 (0.77) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6878626 0.83 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHTR1A

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