SCHEMBL9632872

SCHEMBL9632872

Cc1cc(Cl)ccc1N(S)C(=O)Nc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.48
ALOX5 P09917 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47
CYSLTR1 Q9Y271 3/20 0.46
CYSLTR2 Q9NS75 1/20 0.46

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
SCHEMBL9630717 0.86 PDE10A (0.45) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL9630746 0.84 PDE10A (0.43) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL9631884 0.80 PDE10A (0.58) PDE10AALOX5GPBAR1CYSLTR1
SCHEMBL9632868 0.78 SMN1; SMN2 (0.49) ALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL9632136 0.76 PDE10A (0.54) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL7008427 0.75 GPBAR1 (0.64) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL9630560 0.75 PDE10A (0.52) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL9719811 0.73 GPBAR1 (0.62) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL7454127 0.73 CYSLTR1 (0.63) ALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL10690965 0.72 CYSLTR1 (0.76) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2

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
US-5120744-A For combating diseases susceptible to the action of lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1992-06-09 US disclosed