SCHEMBL6802240

SCHEMBL6802240

O=C(N[C@H](Cn1cnc2c(N3CCC(CNC4=NCCN4)CC3)ncnc21)C(=O)O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.59
ITGAV P06756 20/20 0.59
ITGA2B P08514 1/20 0.54
ITGB5 P18084 1/20 0.54

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
SCHEMBL4641449 1.00 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL6802237 1.00 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL4640251 0.85 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB5
SCHEMBL6802245 0.85 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB5
SCHEMBL4641583 0.85 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5
SCHEMBL4641094 0.84 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5
SCHEMBL6811091 0.83 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5
SCHEMBL7702988 0.79 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB5
SCHEMBL4644035 0.79 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB5
SCHEMBL4640844 0.78 ITGB3 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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