SCHEMBL6878166

SCHEMBL6878166

CCOc1ccccc1C(=O)NCC1CCC(Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.46
HTR7 P34969 1/20 0.46
ADRA2A P08913 3/20 0.46
NPY5R Q15761 1/20 0.46
HCRTR2 O43614 1/20 0.46
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
HCRTR1 O43613 2/20 0.45
ADRA1A P35348 2/20 0.43
HTR2B P41595 2/20 0.43
HRH1 P35367 1/20 0.43
HTR1A P08908 1/20 0.41
TSHR P16473 3/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6878155 1.00 MCHR1 (0.46) MCHR1HTR7ADRA2ANPY5RHCRTR2
SCHEMBL6877198 0.89 USP2 (0.48) MCHR1HTR7HCRTR2CDK1CDK4
SCHEMBL6877203 0.89 USP2 (0.48) MCHR1HTR7HCRTR2CDK1CDK4
SCHEMBL6875684 0.87 MCHR1 (0.51) MCHR1HTR7ADRA2ANPY5RCDK1
SCHEMBL6875679 0.87 MCHR1 (0.51) MCHR1HTR7ADRA2ANPY5RCDK1
SCHEMBL6880535 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6869215 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6880528 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6869211 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878345 0.83 MCHR1 (0.49) 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