SCHEMBL7982801

SCHEMBL7982801

CCCCS(=O)(=O)N[C@@H](CNC(=O)CN1C(=O)N(C)[C@@](C)(c2ccc(C(=N)N)cc2)C1=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.48
ITGA2B P08514 18/20 0.48
ITGAV P06756 4/20 0.48

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
SCHEMBL7439932 1.00 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7982805 0.86 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL7439842 0.86 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL7986508 0.86 ITGB3 (0.39) ITGB3ITGA2BITGAV
SCHEMBL7983182 0.85 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7443843 0.85 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7982793 0.81 ITGB3 (0.43) ITGB3ITGA2BITGAV
SCHEMBL7986514 0.74 ITGB3 (0.38) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL6699327 0.73 ITGB3 (0.42) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6699321 0.73 ITGB3 (0.42) ITGB3ITGA2B

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-6191282-B1 DERIVATIVES OF 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC RING IS USED AS ANTICARCINOGENIC AGENT AND ANTICOAGULANT HOECHST MARION ROUSSEL (DE) 2001-02-20 US disclosed
US-5981492-A ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed