SCHEMBL6868262

SCHEMBL6868262

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)c3cccc(Cl)c3F)CC2)nc2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.48
ADRA2A P08913 9/20 0.48
ADRA1A P35348 3/20 0.48
HTR2B P41595 3/20 0.48
HRH1 P35367 2/20 0.48
NPY5R Q15761 2/20 0.45
CHRM1 P11229 1/20 0.45
HTR1A P08908 1/20 0.44
HPGD P15428 1/20 0.39
CNR2 P34972 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL6868268 1.00 MCHR1 (0.48) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6874247 0.92 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6874574 0.92 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6874581 0.92 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6874253 0.92 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL27631579 0.92 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875770 0.90 MCHR1 (0.53) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6462945 0.90 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875781 0.90 MCHR1 (0.53) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6462949 0.90 MCHR1 (0.51) 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