SCHEMBL28535273

SCHEMBL28535273

CC(C)Cc1cc(OCc2ccc3ccccc3n2)ccc1-c1ccn(Cc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.48
ALOX5AP P20292 11/20 0.46
CYSLTR2 Q9NS75 2/20 0.44
CYSLTR1 Q9Y271 2/20 0.44
CYP1A2 P05177 1/20 0.43
LGALS3 P17931 1/20 0.43
PDE4D Q08499 1/20 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
SCHEMBL28910779 0.92 PDE10A (0.47) PDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL28546238 0.88 ALOX5AP (0.48) PDE10AALOX5APCYSLTR2CYSLTR1CYP1A2
SCHEMBL28540938 0.82 PDE10A (0.49) PDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL28907986 0.76 PDE10A (0.51) PDE10ACYSLTR2CYSLTR1CYP1A2
SCHEMBL28526465 0.76 PDE10A (0.46) PDE10AALOX5APCYSLTR2CYSLTR1CYP1A2
SCHEMBL28530348 0.74 ALOX5AP (0.48) PDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL28530346 0.71 ALOX5AP (0.49) PDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL27816005 0.69 CYSLTR1 (0.64) PDE10AALOX5APCYSLTR2CYSLTR1
SCHEMBL6449871 0.68 HTT (0.42) PDE10AALOX5APCYSLTR2CYSLTR1CYP1A2
SCHEMBL8881140 0.67 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