SCHEMBL7797657

SCHEMBL7797657

CCOC(=O)C[C@H](Cc1ccc(OCCc2cccc(NC)n2)cc1)c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.67
ITGAV P06756 20/20 0.67
ITGB1 P05556 16/20 0.52
ITGA5 P08648 15/20 0.52
ITGB6 P18564 3/20 0.51
ITGA2B P08514 1/20 0.43
ITGB5 P18084 1/20 0.43

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
SCHEMBL7797654 1.00 ITGB3 (0.67) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7512617 0.91 ITGB3 (0.81) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL1820551 0.90 ITGB3 (0.83) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL1821210 0.90 ITGB3 (0.83) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7807935 0.84 ITGB3 (0.66) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6177136 0.80 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6176301 0.80 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7808018 0.78 ITGB3 (0.47) ITGB3ITGAVITGB1ITGB6
SCHEMBL27509317 0.78 ITGB3 (0.47) ITGB3ITGAVITGB1ITGB6
SCHEMBL7804139 0.77 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5ITGB6

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
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed