SCHEMBL16638872

SCHEMBL16638872

Cn1[nH]c2cc(=O)n(Cc3cccc(N4CCCC4)n3)c(C3=CCC(Cl)C=C3)c2c1=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 9/20 0.44
▸ PDE10A Q9Y233 8/20 0.36
▸ HCRTR1 O43613 3/20 0.36
▸ HCRTR2 O43614 3/20 0.36

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
SCHEMBL1302880 0.80 NOX4 (0.50) NOX4PDE10AHCRTR1HCRTR2
SCHEMBL19956784 0.74 NOX4 (0.57) NOX4PDE10A
SCHEMBL1302281 0.73 NOX4 (0.60) NOX4PDE10A
SCHEMBL2217002 0.66 NOX4 (0.56) NOX4
SCHEMBL1302839 0.62 NOX4 (0.78) NOX4
SCHEMBL1302350 0.61 NOX4 (1.00) NOX4
SCHEMBL1302902 0.61 NOX4 (0.82) NOX4
SCHEMBL19634008 0.59 PDE10A (0.52) PDE10AHCRTR1HCRTR2
SCHEMBL2214964 0.59 NOX4 (1.00) NOX4
SCHEMBL19956827 0.59 PGR (0.48) NOX4

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-2860179-A1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2015-04-15 — — EP disclosed
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