SCHEMBL24029612

SCHEMBL24029612

C#CCN(C)C(=O)CN1CCN(C(=O)C(C)(C)NC(=O)CCCc2ccc(Cc3ccccc3C)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 17/20 0.47
SLC5A2 P31639 15/20 0.47
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
AR P10275 1/20 0.35

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
SCHEMBL24029934 0.85 SLC5A1 (0.36) SLC5A1SLC5A2
SCHEMBL24029549 0.83 SLC5A1 (0.75) SLC5A1SLC5A2
SCHEMBL24029901 0.83 SLC5A1 (0.54) SLC5A1SLC5A2ALPLALPIALPG
SCHEMBL26552776 0.82 SLC5A1 (0.63) SLC5A1SLC5A2
SCHEMBL24029915 0.82 SLC5A1 (0.51) SLC5A1SLC5A2
SCHEMBL24029616 0.81 SLC5A1 (0.53) SLC5A1SLC5A2ALPLALPIALPG
SCHEMBL24029910 0.81 SLC5A1 (0.72) SLC5A1SLC5A2
SCHEMBL21028588 0.81 SLC5A1 (0.64) SLC5A1SLC5A2AR
SCHEMBL26552817 0.81 SLC5A1 (0.60) SLC5A1SLC5A2
SCHEMBL24029745 0.74 SLC5A1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021227440-A1 A CLASS OF ARYL GLUCOSIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海喆邺生物科技有限公司 2021-11-18 WO disclosed