SCHEMBL6867131

SCHEMBL6867131

COc1ccc(NC(=O)C2CCC(Nc3ncc(C)c(N(C)C)n3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.55
ADRA2A P08913 6/20 0.55
HTR2B P41595 6/20 0.55
HRH1 P35367 5/20 0.55
ADRA1A P35348 4/20 0.53
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR1A P08908 1/20 0.45
ULK1 O75385 1/20 0.45
MAPK6 Q16659 1/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
ABL1 P00519 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NR4A1 P22736 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL6867124 1.00 MCHR1 (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456095 0.89 MCHR1 (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456083 0.89 MCHR1 (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458320 0.85 MCHR1 (0.57) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458333 0.85 MCHR1 (0.57) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6828396 0.85 ACACB (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6461468 0.85 ACACB (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6461475 0.85 ACACB (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874839 0.85 MCHR1 (0.53) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874836 0.85 MCHR1 (0.53) MCHR1ADRA2AHTR2BHRH1ADRA1A

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