SCHEMBL21028588

SCHEMBL21028588

Cc1ccccc1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCN(C)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 17/20 0.64
SLC5A2 P31639 12/20 0.64
AR P10275 1/20 0.43
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL24029901 0.90 SLC5A1 (0.54) SLC5A1SLC5A2AR
SCHEMBL21028847 0.88 SLC5A1 (0.66) SLC5A1SLC5A2ALDH1A1
SCHEMBL24029616 0.88 SLC5A1 (0.53) SLC5A1SLC5A2AR
SCHEMBL24029612 0.81 SLC5A1 (0.47) SLC5A1SLC5A2AR
SCHEMBL24038262 0.80 SLC5A1 (0.47) SLC5A1SLC5A2ALDH1A1
SCHEMBL24030004 0.80 SLC5A1 (0.47) SLC5A1SLC5A2ALDH1A1
SCHEMBL15748717 0.79 SLC5A1 (1.00) SLC5A1SLC5A2
SCHEMBL22972815 0.79 SLC5A1 (0.66) SLC5A1SLC5A2
SCHEMBL24030116 0.79 SLC5A1 (0.47) SLC5A1SLC5A2
SCHEMBL20787214 0.78 SLC5A1 (0.77) SLC5A1SLC5A2

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-3489226-B1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 LEXICON PHARMACEUTICALS INC (US) 2021-02-17 EP disclosed
EP-3489226-A1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 Lexicon Pharmaceuticals, Inc. (US) 2019-05-29 EP disclosed