SCHEMBL22723918

SCHEMBL22723918

O=C(N[C@H]1CC[C@H](CCCN2CCc3nc(OCC(F)(F)F)sc3CC2)CC1)c1cccnc1C(F)F

nearest known ligand 0.92

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 20/20 0.92
▸ DRD2 P14416 19/20 0.92

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
SCHEMBL22961817 0.96 DRD3 (1.00) DRD3DRD2
SCHEMBL22961542 0.96 DRD3 (1.00) DRD3DRD2
SCHEMBL22961718 0.90 DRD3 (1.00) DRD3DRD2
SCHEMBL22961554 0.90 DRD3 (1.00) DRD3DRD2
SCHEMBL22961548 0.88 DRD3 (1.00) DRD3DRD2
SCHEMBL22961685 0.88 DRD3 (1.00) DRD3DRD2
SCHEMBL22961836 0.88 DRD3 (1.00) DRD3DRD2
SCHEMBL22961555 0.88 DRD3 (1.00) DRD3DRD2
SCHEMBL22961545 0.87 DRD3 (0.83) DRD3DRD2
SCHEMBL21041528 0.85 DRD3 (0.90) DRD3DRD2

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-3744721-A1 CONDENSED CYCLIC COMPOUND HAVING DOPAMINE D3 RECEPTOR ANTAGONISM Shionogi & Co., Ltd (JP) 2020-12-02 — — EP disclosed
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