SCHEMBL13372945

SCHEMBL13372945

O[C@H]1CCC[C@@H](c2nccnc2Oc2ccc(Cc3nc4ccccc4[nH]3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 15/20 0.54
▸ GRIN1 Q05586 1/20 0.53
▸ GRIN2B Q13224 1/20 0.53

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
SCHEMBL13372951 1.00 PDE10A (0.54) PDE10AGRIN1GRIN2B
SCHEMBL13372939 1.00 PDE10A (0.54) PDE10AGRIN1GRIN2B
SCHEMBL13372940 1.00 PDE10A (0.54) PDE10AGRIN1GRIN2B
SCHEMBL11989588 0.83 PDE10A (0.57) PDE10A
SCHEMBL11989097 0.83 PDE10A (0.57) PDE10A
SCHEMBL11989622 0.83 PDE10A (0.57) PDE10A
SCHEMBL11989098 0.83 PDE10A (0.57) PDE10A
SCHEMBL1304174 0.82 PDE10A (0.79) PDE10A
SCHEMBL1304028 0.82 PDE10A (0.79) PDE10A
SCHEMBL1303966 0.82 PDE10A (0.79) 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-2364308-B1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC (US) 2012-10-24 — — EP disclosed
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