SCHEMBL6874669

SCHEMBL6874669

COc1ccc(C(=O)NC[C@H]2CC[C@@H](Nc3ncc(C)c(N(C)C)n3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.73
ADRA2A P08913 7/20 0.73
HTR2B P41595 6/20 0.73
HRH1 P35367 5/20 0.73
ADRA1A P35348 4/20 0.73
HTR1A P08908 1/20 0.68
CXCR3 P49682 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6874678 1.00 MCHR1 (0.73) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6466369 0.91 MCHR1 (0.77) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6466387 0.91 MCHR1 (0.77) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874457 0.91 MCHR1 (0.78) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874459 0.91 MCHR1 (0.78) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875947 0.89 MCHR1 (0.71) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6463156 0.89 MCHR1 (0.82) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6463166 0.89 MCHR1 (0.82) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877732 0.89 MCHR1 (0.75) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868304 0.89 MCHR1 (0.76) 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