SCHEMBL2565993

SCHEMBL2565993

O=C(Cc1ccccc1Cl)N(Cc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.55
ALOX5 P09917 3/20 0.54
GPBAR1 Q8TDU6 1/20 0.52
FFAR1 O14842 1/20 0.51
AKR1B1 P15121 1/20 0.51
CYSLTR1 Q9Y271 4/20 0.49
CYSLTR2 Q9NS75 3/20 0.49

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
SCHEMBL2564841 0.89 ALOX5 (0.56) PDE10AALOX5GPBAR1FFAR1AKR1B1
SCHEMBL7708880 0.87 PDE10A (0.56) PDE10AALOX5GPBAR1FFAR1AKR1B1
SCHEMBL2565884 0.86 ALOX5 (0.56) PDE10AALOX5GPBAR1FFAR1AKR1B1
SCHEMBL2589908 0.83 ALOX5 (0.55) PDE10AALOX5GPBAR1FFAR1AKR1B1
SCHEMBL2566742 0.83 ALOX5 (0.58) PDE10AALOX5GPBAR1FFAR1AKR1B1
SCHEMBL2565880 0.81 ALOX5 (0.67) PDE10AALOX5GPBAR1CYSLTR1CYSLTR2
SCHEMBL2566267 0.81 ALOX5 (0.59) PDE10AALOX5GPBAR1FFAR1AKR1B1
SCHEMBL7716900 0.81 PDE10A (0.53) PDE10AALOX5GPBAR1FFAR1AKR1B1
SCHEMBL2562668 0.80 PDE10A (0.59) PDE10AALOX5GPBAR1FFAR1AKR1B1
SCHEMBL2566025 0.79 ALOX5 (0.57) PDE10AALOX5FFAR1AKR1B1CYSLTR1

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
WO-2011132048-A1 HETEROARYL COMPOUNDS AS PDE10A INHIBITORS GLENMARK PHARMACEUTICAL S.A. (CH) 2011-10-27 WO claimed