SCHEMBL6866568

SCHEMBL6866568

CN(C)c1nc(NC2CCC(CNC(=O)c3cccc(C(F)(F)F)c3F)CC2)nc2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.51
ADRA2A P08913 8/20 0.48
ADRA1A P35348 3/20 0.48
HTR2B P41595 2/20 0.48
HTR1A P08908 1/20 0.48
NPY5R Q15761 2/20 0.47
HRH1 P35367 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
CNR2 P34972 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL6866562 1.00 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6874574 0.90 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6874581 0.90 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6868262 0.89 MCHR1 (0.48) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6868268 0.89 MCHR1 (0.48) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6875414 0.89 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6875410 0.89 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL7041157 0.89 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL7041164 0.89 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL7114718 0.86 MCHR1 (0.51) 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