SCHEMBL6868774

SCHEMBL6868774

COCCN(C(=O)O)[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.37
ADRA2A P08913 16/20 0.37
HTR2B P41595 6/20 0.35
HRH1 P35367 5/20 0.35
ADRA1A P35348 4/20 0.34
HTR1A P08908 2/20 0.34
NPY5R Q15761 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL6868783 1.00 MCHR1 (0.37) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875943 0.86 EHMT2 (0.39) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875935 0.86 EHMT2 (0.39) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6866932 0.85 MCHR1 (0.36) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6866924 0.85 MCHR1 (0.36) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6873453 0.84 MCHR1 (0.35) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6880529 0.83 MCHR1 (0.35) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6880534 0.83 MCHR1 (0.35) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868077 0.78 MCHR1 (0.43) MCHR1ADRA2AHTR2BHRH1
SCHEMBL6868067 0.78 MCHR1 (0.43) MCHR1ADRA2AHTR2BHRH1

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