SCHEMBL14356372

SCHEMBL14356372

NCCCOC(=O)NCCS(=O)(=O)N[C@@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)C(=O)O

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.85
ITGAV P06756 14/20 0.85
ITGA2B P08514 11/20 0.50

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
SCHEMBL14356377 0.98 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL14356368 0.96 ITGB3 (0.89) ITGB3ITGAVITGA2B
SCHEMBL14356369 0.93 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL14356360 0.92 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL14356378 0.92 ITGB3 (0.83) ITGB3ITGAVITGA2B
SCHEMBL13170290 0.91 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL14356381 0.91 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL14356358 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL14387909 0.88 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL14356356 0.87 ITGB3 (0.89) ITGB3ITGAVITGA2B

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-7300940-B2 Integrin α-v β-3 antagonists for use in imaging and therapy THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-11-27 US disclosed
US-7300940-B2 Integrin α-v β-3 antagonists for use in imaging and therapy THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-11-27 US disclosed