SCHEMBL7216428

SCHEMBL7216428

O=C(CN1C(=O)N[C@@H](CCCNc2nc3cccnc3[nH]2)C1=O)NCCC(=O)ONC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.61
ITGAV P06756 16/20 0.61
ITGA2B P08514 8/20 0.45
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.35

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
SCHEMBL7212703 0.85 ITGB3 (0.83) ITGB3ITGAVITGA2B
SCHEMBL7217699 0.79 ITGB3 (0.51) ITGB3ITGAVITGA2BLMNAPOLB
SCHEMBL7211510 0.77 ITGB3 (0.52) ITGB3ITGAVITGA2BLMNAPOLB
SCHEMBL7217678 0.74 ITGB3 (0.54) ITGB3ITGAVITGA2BLMNAPOLB
SCHEMBL7217600 0.73 ITGB3 (0.93) ITGB3ITGAVITGA2B
SCHEMBL7216459 0.72 ITGB3 (0.66) ITGB3ITGAVITGA2BLMNAPOLB
SCHEMBL7211537 0.72 ITGB3 (0.91) ITGB3ITGAVITGA2B
SCHEMBL7212645 0.70 ITGB3 (0.60) ITGB3ITGAVITGA2BLMNAPOLB
SCHEMBL7217507 0.70 ITGB3 (0.87) ITGB3ITGAVITGA2B
SCHEMBL7974527 0.70 ITGB3 (0.87) 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-6620820-B2 Imidazole dione or one, thione derivatives as antitumor and antiinflammatory agents, also treats cardiovascular disease, nephropathies and retinopathies HOECHST AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed
US-6218415-B1 THERAPY OF BONE REABSORPTION BY OSTEOCLASTS, TUMOR GROWTH AND TUMOR METASTASIS, INFLAMMATION, CARDIOVASCULAR DISEASE, NEPHROPATHIES AND RETINOPATHIES HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-17 US disclosed