SCHEMBL13170290

SCHEMBL13170290

NCCS(=O)(=O)NC(CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 14/20 1.00
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
SCHEMBL14356381 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL14356368 0.93 ITGB3 (0.89) ITGB3ITGAVITGA2B
SCHEMBL14387907 0.93 ITGB3 (0.86) ITGB3ITGAVITGA2B
SCHEMBL2419825 0.92 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL23718779 0.92 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL14387730 0.92 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL14387909 0.91 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL14387729 0.91 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL14356372 0.91 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL14356377 0.90 ITGB3 (0.84) 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
WO-2021155151-A1 MULTIVALENT LIGANDS TARGETING CELL SURFACE RECEPTORS AND FORCE MEASUREMENT PLATFORM FOR MAKING THE SAME THE METHODIST HOSPITAL SYSTEM (US) 2021-08-05 WO disclosed
US-7803399-B2 Delivery system for nucleic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2010-09-28 US disclosed