SCHEMBL28530348

SCHEMBL28530348

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.48
PDE10A Q9Y233 10/20 0.47
HTR2B P41595 1/20 0.43
CYSLTR2 Q9NS75 2/20 0.42
CYSLTR1 Q9Y271 2/20 0.42
PPARG P37231 1/20 0.41

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
SCHEMBL28540938 0.92 PDE10A (0.49) ALOX5APPDE10ACYSLTR2CYSLTR1
SCHEMBL28530346 0.89 ALOX5AP (0.49) ALOX5APPDE10ACYSLTR2CYSLTR1
SCHEMBL28910779 0.82 PDE10A (0.47) ALOX5APPDE10AHTR2BCYSLTR2CYSLTR1
SCHEMBL28523720 0.76 PDE10A (0.47) ALOX5APPDE10ACYSLTR2CYSLTR1
SCHEMBL28535273 0.74 PDE10A (0.48) ALOX5APPDE10ACYSLTR2CYSLTR1
SCHEMBL28907986 0.72 PDE10A (0.51) PDE10ACYSLTR2CYSLTR1
SCHEMBL28546238 0.71 ALOX5AP (0.48) ALOX5APPDE10ACYSLTR2CYSLTR1
SCHEMBL10547699 0.70 CYSLTR1 (0.76) PDE10AHTR2BCYSLTR2CYSLTR1
SCHEMBL28526465 0.67 PDE10A (0.46) ALOX5APPDE10ACYSLTR2CYSLTR1
SCHEMBL13772899 0.66 PDE10A (0.73) PDE10AHTR2BCYSLTR2CYSLTR1

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