Sugi Predict

Sugi Predict / Compounds / Thiouracil

Thiouracil

Thiouracil

SCHEMBL1043145

CCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1.Oc1ccnc(S)n1

nearest known ligand 0.56

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 20/20 0.56
▸ DRD3 P35462 20/20 0.56

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
Thiouracil SCHEMBL2437212 0.85 DRD2 (0.39) DRD2DRD3
SCHEMBL5899239 0.82 DRD2 (0.59) DRD2DRD3
Abt-925 SCHEMBL29462266 0.80 DRD2 (0.67) DRD2DRD3
Abt-925 SCHEMBL1043144 0.80 DRD2 (0.67) DRD2DRD3
SCHEMBL7658718 0.78 DRD2 (0.59) DRD2DRD3
SCHEMBL7660493 0.76 DRD2 (0.59) DRD2DRD3
SCHEMBL2355000 0.76 DRD2 (0.84) DRD2DRD3
SCHEMBL7450768 0.75 DRD2 (0.67) DRD2DRD3
SCHEMBL392268 0.75 DRD2 (0.66) DRD2DRD3
SCHEMBL7252658 0.75 DRD2 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003728-B1 2-(3-(4-(2-t-Butyl-6-trifluoromethylpyrimidin-4-yl)piperazin-1-yl)propylmercapto)pyrimidin-4-ol-fumarate ABBOTT GMBH & CO KG (DE) 2011-09-21 — — EP claimed
EP-1003728-B1 2-(3-(4-(2-t-Butyl-6-trifluoromethylpyrimidin-4-yl)piperazin-1-yl)propylmercapto)pyrimidin-4-ol-fumarate ABBOTT GMBH & CO KG (DE) 2011-09-21 — — EP disclosed
EP-2272833-A1 2-(3-(4-(2-t-Butyl-6-trifluoromethylpyridin-4-yl)piperazin-1-yl)propylmercapto)pyrimidin-4-ol-fumarate Abbott GmbH & Co. KG (DE) 2011-01-12 — — EP disclosed