SCHEMBL6873446

SCHEMBL6873446

CCOc1ccccc1C(=O)NCC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.50
ADRA2A P08913 4/20 0.50
NPY5R Q15761 2/20 0.50
ADRA1A P35348 2/20 0.46
HTR2B P41595 2/20 0.46
HRH1 P35367 1/20 0.46
HTR1A P08908 1/20 0.44
HTR7 P34969 2/20 0.43
HCRTR1 O43613 2/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6873440 1.00 MCHR1 (0.50) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6880853 0.90 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6880846 0.90 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878754 0.88 MCHR1 (0.49) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878748 0.88 MCHR1 (0.49) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877932 0.86 MCHR1 (0.51) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877928 0.86 MCHR1 (0.51) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875675 0.86 MCHR1 (0.47) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875673 0.86 MCHR1 (0.47) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL27631579 0.86 MCHR1 (0.50) MCHR1ADRA2ANPY5RADRA1AHTR2B

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