SCHEMBL22723741

SCHEMBL22723741

Cn1cc2c(C(=O)NC3CCC(CCN4CCc5nc(OCC(C)(F)F)sc5CC4)OC3)cccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 20/20 1.00
▸ DRD2 P14416 14/20 1.00

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
SCHEMBL22723942 1.00 DRD3 (1.00) DRD3DRD2
SCHEMBL21042489 0.95 DRD3 (0.92) DRD3DRD2
SCHEMBL21041514 0.95 DRD3 (0.91) DRD3DRD2
SCHEMBL21040819 0.91 DRD3 (0.83) DRD3DRD2
SCHEMBL21041421 0.91 DRD3 (0.92) DRD3DRD2
SCHEMBL22723728 0.87 DRD3 (1.00) DRD3DRD2
SCHEMBL22961604 0.87 DRD3 (1.00) DRD3DRD2
SCHEMBL22723729 0.87 DRD3 (1.00) DRD3DRD2
SCHEMBL22961837 0.87 DRD3 (1.00) DRD3DRD2
SCHEMBL21041887 0.87 DRD3 (1.00) 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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