SCHEMBL6878633

SCHEMBL6878633

CN(C)c1ccnc(NC2CCC(CNC(=O)c3cccc(C(F)(F)F)c3F)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.50
ADRA2A P08913 3/20 0.47
ADRA1A P35348 2/20 0.47
HTR2B P41595 2/20 0.47
HTR1A P08908 1/20 0.47
HRH1 P35367 1/20 0.45
NPY5R Q15761 1/20 0.42
CNR2 P34972 5/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38
CHRM1 P11229 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
SCHEMBL6878626 1.00 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6873221 0.89 MCHR1 (0.53) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6876588 0.89 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6876594 0.89 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6878385 0.88 TAS1R3 (0.48) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878394 0.88 TAS1R3 (0.48) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875182 0.88 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6875176 0.88 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6874506 0.84 MCHR1 (0.53) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6878345 0.83 MCHR1 (0.49) 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