SCHEMBL7983582

SCHEMBL7983582

CC(=O)N([C@H](CC(=O)O)c1cccc(C(=O)O)c1)N1C(=O)N[C@](C)(c2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.53
ITGA2B P08514 5/20 0.53
F10 P00742 6/20 0.39
KMT2A Q03164 2/20 0.35
F2 P00734 5/20 0.34
PRSS1 P07477 4/20 0.34
ANPEP P15144 1/20 0.34
ENPEP Q07075 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
Hydrochloric Acid SCHEMBL8488362 0.90 ITGB3 (0.56) ITGB3ITGA2BF10KMT2AMEN1
Hydrochloric Acid SCHEMBL8489120 0.90 ITGB3 (0.56) ITGB3ITGA2BF10KMT2AMEN1
Hydrochloric Acid SCHEMBL7986512 0.90 ITGB3 (0.56) ITGB3ITGA2BF10KMT2AMEN1
Hydrochloric Acid SCHEMBL7969557 0.90 ITGB3 (0.56) ITGB3ITGA2BF10KMT2AMEN1
SCHEMBL7981888 0.90 ITGB3 (0.50) ITGB3ITGA2BKMT2AMEN1CYP3A4
SCHEMBL7983505 0.89 ITGB3 (0.52) ITGB3ITGA2BF10KMT2AF2
SCHEMBL7986725 0.89 ITGB3 (0.50) ITGB3ITGA2BF10KMT2APRSS1
SCHEMBL7981063 0.86 ITGB3 (0.51) ITGB3ITGA2BF10KMT2AF2
SCHEMBL8489046 0.86 ITGB3 (0.52) ITGB3ITGA2BKMT2AMEN1CYP3A4
SCHEMBL7985139 0.86 ITGB3 (0.49) ITGB3ITGA2BKMT2AMEN1CYP3A4

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