SCHEMBL28540938

SCHEMBL28540938

CC(C)Cc1cc(OCc2ccc3ccccc3n2)ccc1-c1ccnn1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.49
ALOX5AP P20292 13/20 0.47
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43

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
SCHEMBL28530348 0.92 ALOX5AP (0.48) PDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL28530346 0.89 ALOX5AP (0.49) PDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL28535273 0.82 PDE10A (0.48) PDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL28523720 0.76 PDE10A (0.47) PDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL28910779 0.74 PDE10A (0.47) PDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL28907986 0.72 PDE10A (0.51) PDE10ACYSLTR2CYSLTR1
SCHEMBL28546238 0.71 ALOX5AP (0.48) PDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL27816005 0.68 CYSLTR1 (0.64) PDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL6454291 0.67 HTT (0.42) PDE10AALOX5AP
SCHEMBL8881140 0.66 CYSLTR1 (0.55) PDE10ACYSLTR2CYSLTR1

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
CN-109384766-B Quinoline compound and preparation method and application thereof 广东环境保护工程职业学院 2021-02-09 CN disclosed