SCHEMBL21028847

SCHEMBL21028847

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

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 12/20 0.66
SLC5A2 P31639 7/20 0.66
LTA4H P09960 4/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL21028588 0.88 SLC5A1 (0.64) SLC5A1SLC5A2ALDH1A1
SCHEMBL20803503 0.81 SLC5A1 (0.71) SLC5A1SLC5A2
SCHEMBL15748877 0.80 SLC5A1 (1.00) SLC5A1SLC5A2
SCHEMBL20994697 0.80 SLC5A1 (0.67) SLC5A1SLC5A2
SCHEMBL24029901 0.79 SLC5A1 (0.54) SLC5A1SLC5A2RAB9AKMT2A
SCHEMBL24029616 0.77 SLC5A1 (0.53) SLC5A1SLC5A2NPC1RAB9A
SCHEMBL24029909 0.76 NPC1 (0.49) SLC5A1SLC5A2LTA4HLMNANPC1
SCHEMBL20787349 0.72 SLC5A1 (0.87) SLC5A1SLC5A2
SCHEMBL20787319 0.71 SLC5A1 (0.58) SLC5A1SLC5A2
SCHEMBL24029612 0.71 SLC5A1 (0.47) 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