SCHEMBL21759879

SCHEMBL21759879

Cn1c(Oc2ccc(-n3c(=O)n(CO)c4cccnc43)cc2)nc(Cl)c1O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.40
MAPT P10636 1/20 0.37
AR P10275 1/20 0.36
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9980849 0.83 PDE10A (0.41) PDE10AARPOLBTP53
SCHEMBL9981385 0.78 PDE10A (0.46) PDE10AMAPT
SCHEMBL9982363 0.77 PDE10A (0.46) PDE10A
SCHEMBL9980990 0.77 PDE10A (0.44) PDE10APOLBTP53
SCHEMBL9981245 0.76 PDE10A (0.43) PDE10APOLBTP53ALDH1A1
SCHEMBL1701334 0.76 PDE10A (0.47) PDE10AMAPT
SCHEMBL9980992 0.75 PDE10A (0.41) PDE10AMAPTPOLBALDH1A1
SCHEMBL15946514 0.74 PDE10A (0.46) PDE10A
SCHEMBL9981045 0.74 PDE10A (0.44) PDE10A
SCHEMBL1703500 0.73 PDE10A (0.41) PDE10AMAPTPOLB

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
EP-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP disclosed