SCHEMBL6300342

SCHEMBL6300342

CC(C)(C)OC(=O)NCCCNc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.52
STK17A Q9UEE5 1/20 0.52
BRD4 O60885 3/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BCHE P06276 1/20 0.46
CYP3A4 P08684 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGAV P06756 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
MALT1 Q9UDY8 1/20 0.45
ALOX12 P18054 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGB5 P18084 1/20 0.45
ITGB6 P18564 1/20 0.45
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6957779 0.97 STK17B (0.49) STK17BSTK17ABRD4HTTSMN1; SMN2
SCHEMBL29263638 0.96 TDP1 (0.51) STK17BSTK17ABRD4HTTSMN1; SMN2
SCHEMBL6174559 0.92 BCHE (0.54) STK17BSTK17ABRD4HTTSMN1; SMN2
SCHEMBL4398713 0.85 POLB (0.58) HTTSMN1; SMN2ALOX12KDM4EL3MBTL1
SCHEMBL4400612 0.83 POLB (0.58) HTTSMN1; SMN2CYP3A4TDP1ALOX12
SCHEMBL3146288 0.81 GAA (0.54) HTTSMN1; SMN2TDP1KDM4EL3MBTL1
SCHEMBL12199203 0.81 ITGB3 (0.49) HTTSMN1; SMN2ITGB3ITGAVITGB1
SCHEMBL7415378 0.80 TLR8 (0.54) HTTSMN1; SMN2ITGB3ITGAVITGB1
SCHEMBL30475386 0.80 TDP1 (0.56) STK17BSTK17ABRD4CYP3A4TDP1
SCHEMBL14907973 0.80 STK17B (0.65) STK17BSTK17ABRD4BCHECYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846833-B2 Vitronectin receptor antagonist bicyclic compounds, preparation method and compositions containing same LES LABORATORIES SERVIER (FR) 2005-01-25 US disclosed
EP-1268429-B1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-08-18 EP disclosed
EP-1102587-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-12 EP disclosed
US-6458814-B1 VITRONECTIN RECEPTOR ANTAGONISTS AND ARE USEFUL IN THE TREATMENT OF OSTEOPOROSIS: TREATMENT OF INFLAMMATION, CANCER AND CARDIOVASCULAR DISORDERS, SUCH AS ATHEROSCLEROSIS AND RESTENOSIS, AND DISEASES WHEREIN BONE RESORPTION IS A FACTOR, SMITHKLINE BEECHAM CORPORATION 2002-10-01 US disclosed
EP-1102587-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-30 EP disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
WO-2000007544-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-17 WO disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed