SCHEMBL7368311

SCHEMBL7368311

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.45
ITGB3 P05106 6/20 0.45
ITGA2B P08514 1/20 0.45
GLS O94925 5/20 0.42
ITGAV P06756 5/20 0.42
ITGB1 P05556 4/20 0.40
ITGA5 P08648 4/20 0.40
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GRIN2B Q13224 1/20 0.36
FFAR1 O14842 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
SCHEMBL8177114 0.83 ITGB3 (0.61) ANPEPITGB3ITGA2BGLSITGAV
SCHEMBL8177121 0.83 ITGB3 (0.61) ANPEPITGB3ITGA2BGLSITGAV
SCHEMBL7373306 0.79 GLS (0.39) ITGB3ITGA2BGLSITGAVHDAC6
SCHEMBL7368318 0.79 GLS (0.42) ANPEPITGB3ITGA2BGLSITGAV
SCHEMBL7368315 0.79 GLS (0.42) ANPEPITGB3ITGA2BGLSITGAV
SCHEMBL7369516 0.76 ITGB3 (0.48) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7374456 0.76 SLC1A3 (0.51) ITGB3ITGA2BGLSITGAVITGB1
SCHEMBL8547542 0.72 ITGB3 (0.54) ANPEPITGB3ITGA2BITGAVITGB1
Hydrochloric Acid SCHEMBL8552522 0.72 ITGB3 (0.54) ANPEPITGB3ITGA2BITGAVITGB1
SCHEMBL7371595 0.68 ITGB3 (0.51) ITGB3ITGA2BGLSITGAV

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