SCHEMBL21238828

SCHEMBL21238828

CN1CCC(Oc2nccnc2-c2ccncc2)C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.50
▸ LRRK2 Q5S007 1/20 0.42
▸ PIK3CD O00329 2/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ PIK3CG P48736 2/20 0.42

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
SCHEMBL21238938 0.82 CYP11B1 (0.42) —
SCHEMBL17456001 0.81 PIK3CD (0.46) PDE10APIK3CDPIK3CA
SCHEMBL17455962 0.79 PDE10A (0.45) PDE10APIK3CDPIK3CA
SCHEMBL17456051 0.77 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19575426 0.77 LRRK2 (0.47) LRRK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18502888 0.77 PDE3B (0.50) PDE10A
SCHEMBL1935804 0.77 PDE3B (0.50) PDE10A
SCHEMBL23609421 0.77 SSTR4 (0.50) LRRK2
SCHEMBL17456027 0.77 CHRM1 (0.46) PDE10APIK3CDPIK3CA
SCHEMBL17456042 0.76 SCN9A (0.52) PDE10ALRRK2

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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