SCHEMBL6493601

SCHEMBL6493601

O=C(O)C[C@H](Cc1ccc(O)cc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.56
ITGAV P06756 6/20 0.56
ITGB1 P05556 2/20 0.56
ITGB6 P18564 2/20 0.56
OPRM1 P35372 1/20 0.46
CYP17A1 P05093 1/20 0.44
ITGB5 P18084 1/20 0.43
TBXAS1 P24557 5/20 0.43
NAPRT Q6XQN6 1/20 0.43
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPV1 Q8NER1 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
SCHEMBL6491322 1.00 ITGB3 (0.56) ITGB3ITGAVITGB1ITGB6OPRM1
SCHEMBL6491361 0.84 ITGB3 (0.60) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6491359 0.84 ITGB3 (0.60) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6178799 0.84 GABBR2 (0.56) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6177276 0.84 GABBR2 (0.56) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6177284 0.84 GABBR2 (0.56) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL5856512 0.83 TBXAS1 (0.53) ITGB3ITGAVITGB1ITGB6TBXAS1
SCHEMBL6492125 0.82 ITGB3 (0.44) ITGB3ITGAVITGB1ITGB6OPRM1
SCHEMBL7797656 0.82 ITGB3 (0.44) ITGB3ITGAVITGB1ITGB6OPRM1
SCHEMBL6493607 0.80 ITGB3 (0.47) ITGB3ITGAVITGB1ITGB6TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP disclosed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO disclosed