SCHEMBL2564677

SCHEMBL2564677

Nc1ccc(OCc2ccc3cc(F)ccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.54
PDE4A P27815 2/20 0.54
PDE4B Q07343 2/20 0.54
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
MAOB P27338 4/20 0.50
BACE1 P56817 1/20 0.49
CYSLTR1 Q9Y271 3/20 0.48
CYSLTR2 Q9NS75 2/20 0.48
ALOX5 P09917 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL8180490 0.89 PDE10A (0.47) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL8186157 0.85 CYSLTR1 (0.53) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL10545895 0.80 PDE10A (0.55) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL8180387 0.80 CYSLTR1 (0.48) PDE10ACYSLTR1CYSLTR2
SCHEMBL1694951 0.79 CYSLTR1 (0.76) PDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL2566640 0.78 CYSLTR2 (0.56) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL7604022 0.78 ALOX5 (0.57) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL9387167 0.78 CYSLTR1 (0.56) PDE10ACYSLTR1CYSLTR2
SCHEMBL1423559 0.77 PDE10A (0.71) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL1420107 0.76 PDE10A (0.48) PDE10APDE4APDE4BPDE3BPDE3A

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 disclosed