SCHEMBL4641583

SCHEMBL4641583

NCC1CCN(c2ncnc3c2ncn3C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.55
ITGAV P06756 18/20 0.55
ITGA2B P08514 1/20 0.49
ITGB5 P18084 1/20 0.49

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
SCHEMBL4640844 0.91 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5
SCHEMBL6811091 0.90 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5
SCHEMBL4641094 0.89 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5
SCHEMBL6802237 0.85 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL6802240 0.85 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL4641449 0.85 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL6804912 0.83 ITGB3 (0.45) ITGB3ITGAV
SCHEMBL4640251 0.82 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB5
SCHEMBL27524220 0.81 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5
SCHEMBL4640164 0.81 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853084-B1 Substituted purine derivatives as vitronectin receptor antagonists HOECHST AG (DE) 2008-08-13 EP disclosed
US-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed
EP-0853084-A2 Substituted purine derivatives as vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-15 EP disclosed