SCHEMBL7397240

SCHEMBL7397240

O=C(O)CC(NC(=O)CN1C(=O)N[C@@H](CCCNC2=NCCN2)C1=O)NC(=O)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.76
ITGAV P06756 16/20 0.76
ITGA2B P08514 5/20 0.48
POLB P06746 1/20 0.43
MALT1 Q9UDY8 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL244300 0.86 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7211729 0.85 ITGB3 (0.55) ITGB3ITGAVITGA2BPOLB
SCHEMBL7217714 0.76 ITGB3 (0.46) ITGB3ITGAVITGA2BMALT1
SCHEMBL7216485 0.74 ITGB3 (0.86) ITGB3ITGAVITGA2B
SCHEMBL7211708 0.74 ITGB3 (0.76) ITGB3ITGAVITGA2BLMNA
SCHEMBL7212645 0.71 ITGB3 (0.60) ITGB3ITGAVITGA2BPOLBLMNA
SCHEMBL606799 0.71 ITGB3 (0.58) ITGB3ITGAVITGA2BPOLBLMNA
SCHEMBL7392649 0.71 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7211723 0.71 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7217497 0.70 ITGB3 (0.92) 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
EP-0796855-B1 Inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AG (DE) 2002-02-06 EP disclosed
EP-0796855-A1 Inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-24 EP disclosed