SCHEMBL2566006

SCHEMBL2566006

O=C(Cc1ccncc1)N(Cc1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.61
ALOX5 P09917 2/20 0.57
PDK1 Q15118 1/20 0.51
LMNA P02545 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.47
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47

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
SCHEMBL2566267 0.96 ALOX5 (0.59) PDE10AALOX5PDK1LMNAGPBAR1
SCHEMBL2562668 0.95 PDE10A (0.59) PDE10AALOX5PDK1GPBAR1FFAR1
SCHEMBL2567411 0.92 ALOX5 (0.57) PDE10AALOX5PDK1FFAR1AKR1B1
SCHEMBL2566025 0.92 ALOX5 (0.57) PDE10AALOX5PDK1FFAR1AKR1B1
SCHEMBL7709897 0.92 ALOX5 (0.55) PDE10AALOX5PDK1FFAR1AKR1B1
SCHEMBL2572865 0.90 PDE10A (0.55) PDE10AALOX5PDK1GPBAR1FFAR1
SCHEMBL7711620 0.89 PDE10A (0.60) PDE10AALOX5PDK1GPBAR1FFAR1
SCHEMBL2567999 0.88 ALOX5 (0.61) PDE10AALOX5PDK1LMNAGPBAR1
SCHEMBL2566793 0.88 PDE10A (0.53) PDE10AALOX5PDK1GPBAR1
SCHEMBL7716900 0.88 PDE10A (0.53) PDE10AALOX5PDK1GPBAR1FFAR1

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