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Sugi Predict / Compounds / SCHEMBL6617870

SCHEMBL6617870

SCHEMBL6617870

CC(CNS(=O)(=O)C(C)C)c1ccc(C2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 15/20 0.53
▸ GRIA2 P42262 4/20 0.52
▸ GRIA1 P42261 2/20 0.52
▸ GRIA3 P42263 2/20 0.52
▸ SLC18A3 Q16572 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL5877873 0.88 GRIA4 (0.57) GRIA4GRIA2GRIA1GRIA3
SCHEMBL5878069 0.86 GRIA4 (0.56) GRIA4GRIA2GRIA1GRIA3
SCHEMBL6615924 0.86 GRIA4 (0.50) GRIA4GRIA2GRIA1GRIA3
SCHEMBL6614941 0.84 GRIA4 (0.48) GRIA4GRIA2GRIA1GRIA3
SCHEMBL6615524 0.83 GRIA4 (0.52) GRIA4GRIA2GRIA1GRIA3
SCHEMBL5877855 0.80 GRIA4 (0.51) GRIA4GRIA2GRIA1GRIA3
SCHEMBL5877720 0.80 GRIA4 (0.51) GRIA4GRIA2GRIA1GRIA3
SCHEMBL6565117 0.80 GRIA4 (0.77) GRIA4GRIA2GRIA1GRIA3
SCHEMBL6618597 0.79 GRIA4 (0.48) GRIA4GRIA2GRIA1GRIA3
SCHEMBL6616141 0.77 GRIA4 (0.48) GRIA4GRIA2GRIA1GRIA3

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
EP-1100497-B1 HETEROCYCLYL SULPHONAMIDE DERIVATIVES LILLY CO ELI (US) 2004-05-12 — — EP disclosed
US-6358982-B1 FOR THERAPY OF CENTRAL NERVOUS SYSTEM (CNS) DISORDERS ELI LILLY AND COMPANY 2002-03-19 — — US disclosed