SCHEMBL7366550

SCHEMBL7366550

NC(C(=O)Cc1nnc(CCCN[C@@H]2N=CCN2)s1)C(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 17/20 0.41
SLC1A3 P43003 16/20 0.41
SLC1A1 P43005 15/20 0.41
GLS O94925 2/20 0.33

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
SCHEMBL7367606 0.92 SLC1A3 (0.36) SLC1A2SLC1A3SLC1A1GLS
SCHEMBL8168501 0.82 ITGB3 (0.42)
Hydrochloric Acid SCHEMBL8215964 0.81 GLS (0.33) GLS
SCHEMBL8218077 0.79 GLS (0.33) GLS
SCHEMBL7367243 0.77 SLC1A3 (0.47) SLC1A2SLC1A3SLC1A1
SCHEMBL8177319 0.75 ITGB3 (0.36) GLS
Hydrochloric Acid SCHEMBL8222330 0.75 ITGB3 (0.36) GLS
SCHEMBL7366853 0.74 SLC1A3 (0.34) SLC1A2SLC1A3SLC1A1
SCHEMBL8216110 0.71 F2 (0.33) GLS
SCHEMBL7373306 0.70 GLS (0.39) GLS

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-1049693-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS $g(a) v?$g(b) 3? ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-11-08 EP disclosed
WO-1999026945-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS αvβ3 ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-06-03 WO disclosed