SCHEMBL2721797

SCHEMBL2721797

Cc1nn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)[nH]c1=O

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.71
DRD3 P35462 20/20 0.71

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
Hydrochloric Acid SCHEMBL2722688 0.99 DRD2 (0.70) DRD2DRD3
Hydrochloric Acid SCHEMBL3653432 0.85 DRD2 (0.54) DRD2DRD3
SCHEMBL2720644 0.84 DRD2 (0.51) DRD2DRD3
SCHEMBL2722841 0.84 DRD2 (0.71) DRD2DRD3
Hydrochloric Acid SCHEMBL2720637 0.84 DRD2 (0.51) DRD2DRD3
Hydrochloric Acid SCHEMBL2720683 0.83 DRD2 (0.70) DRD2DRD3
SCHEMBL2351597 0.81 DRD2 (1.00) DRD2DRD3
Hydrochloric Acid SCHEMBL2348887 0.81 DRD2 (0.98) DRD2DRD3
SCHEMBL2350286 0.81 DRD2 (1.00) DRD2DRD3
SCHEMBL2354612 0.79 DRD2 (1.00) DRD2DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492540-B2 1,2,4,-triazin-3,5-dione compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-23 US claimed
EP-2217593-B1 1,2,4,-TRIAZIN-3,5-DIONE COMPOUNDS FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2012-05-02 EP claimed