SCHEMBL21238874

SCHEMBL21238874

COc1ccc([S+]([O-])N2CCC(Oc3nccnc3-c3ccncc3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.39
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 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
SCHEMBL17456039 0.78 MAPT (0.55) GAA
SCHEMBL21238828 0.75 PDE10A (0.50) PDE10A
SCHEMBL17456001 0.68 PIK3CD (0.46) PDE10A
SCHEMBL17464261 0.68 CYP11B1 (0.42) PDE10A
SCHEMBL17455962 0.67 PDE10A (0.45) PDE10A
SCHEMBL17456004 0.65 SMN1; SMN2 (0.52) GAA
SCHEMBL17456051 0.65 PIK3CD (0.54) —
SCHEMBL17455969 0.65 HTR2B (0.43) PDE10AGAA
SCHEMBL17456017 0.64 NAMPT (0.53) GAAL3MBTL1
SCHEMBL17456029 0.63 PDE10A (0.47) PDE10A

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-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
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