SCHEMBL7368318

SCHEMBL7368318

N[C@@](CC(=O)c1nnc(CCCCNc2ccccn2)s1)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLS O94925 9/20 0.42
ANPEP P15144 1/20 0.42
ITGB3 P05106 4/20 0.40
ITGA2B P08514 1/20 0.40
ITGAV P06756 3/20 0.39
GRIN2B Q13224 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 1/20 0.35
CES1 P23141 1/20 0.35
FFAR1 O14842 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA5 P08648 1/20 0.34

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
SCHEMBL7368315 1.00 GLS (0.42) GLSANPEPITGB3ITGA2BITGAV
SCHEMBL7374249 0.84 ITGB3 (0.43) GLSITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL7373310 0.84 ITGB3 (0.43) GLSITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL7368311 0.79 ANPEP (0.45) GLSANPEPITGB3ITGA2BITGAV
SCHEMBL8177121 0.78 ITGB3 (0.61) GLSANPEPITGB3ITGA2BITGAV
SCHEMBL8177114 0.78 ITGB3 (0.61) GLSANPEPITGB3ITGA2BITGAV
SCHEMBL7374464 0.67 ITGB3 (0.41) GLSITGB3ITGA2BITGAVITGB1
SCHEMBL7374471 0.67 ITGB3 (0.41) GLSITGB3ITGA2BITGAVITGB1
SCHEMBL7369530 0.66 ITGB3 (0.41) GLSITGB3ITGA2BITGAVITGB1
SCHEMBL7369525 0.66 ITGB3 (0.41) GLSITGB3ITGA2BITGAVITGB1

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 4 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 claimed
WO-1999026945-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS αvβ3 ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-06-03 WO claimed
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