SCHEMBL6873504

SCHEMBL6873504

CN(C)c1nc(NC2CCC(CNC(=O)c3cccc(Cl)c3)CC2)nc2c1CCCC2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.59
ADRA2A P08913 9/20 0.55
ADRA1A P35348 3/20 0.55
HTR2B P41595 3/20 0.55
HRH1 P35367 2/20 0.55
HTR1A P08908 1/20 0.49
NPY5R Q15761 2/20 0.46
KCNH2 Q12809 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
CRHR1 P34998 1/20 0.43
CACNA1H O95180 1/20 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
SCHEMBL6873500 1.00 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875077 0.91 MCHR1 (0.71) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875080 0.91 MCHR1 (0.71) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876332 0.90 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6877235 0.90 MCHR1 (0.56) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6464596 0.90 MCHR1 (0.56) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6464603 0.90 MCHR1 (0.56) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868889 0.89 MCHR1 (0.58) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6868895 0.89 MCHR1 (0.58) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878108 0.89 MCHR1 (0.56) 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