SCHEMBL6876525

SCHEMBL6876525

COc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.49
ADRA2A P08913 5/20 0.49
ADRA1A P35348 2/20 0.49
HTR2B P41595 2/20 0.49
HRH1 P35367 1/20 0.49
HTR1A P08908 1/20 0.44
MAPK14 Q16539 1/20 0.41
NPY5R Q15761 1/20 0.40
LRRK2 Q5S007 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6876528 1.00 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878400 0.91 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878403 0.91 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6463344 0.90 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6464515 0.90 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6872791 0.89 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6872788 0.89 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6874937 0.88 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6874930 0.88 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL13795025 0.85 MCHR1 (0.58) MCHR1ADRA2AADRA1AHTR2BHRH1

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