SCHEMBL22723947

SCHEMBL22723947

Cn1cc2c(C(=O)N[C@H]3CC4(C[C@@H](CCN5CCc6nc(OCC(F)(F)F)sc6CC5)C4)C3)cccc2n1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 20/20 0.85
▸ DRD2 P14416 11/20 0.85

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
SCHEMBL21041786 0.92 DRD3 (1.00) DRD3DRD2
SCHEMBL21041852 0.91 DRD3 (1.00) DRD3DRD2
SCHEMBL22961570 0.87 DRD3 (0.80) DRD3DRD2
SCHEMBL21041421 0.87 DRD3 (0.92) DRD3DRD2
SCHEMBL21041818 0.87 DRD3 (1.00) DRD3DRD2
SCHEMBL21041887 0.87 DRD3 (1.00) DRD3DRD2
SCHEMBL22961547 0.86 DRD3 (0.84) DRD3DRD2
SCHEMBL21040734 0.86 DRD3 (0.84) DRD3DRD2
SCHEMBL21041514 0.85 DRD3 (0.91) DRD3DRD2
SCHEMBL21041617 0.85 DRD3 (0.87) 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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