SCHEMBL7969640

SCHEMBL7969640

CC(=O)N([C@H](CC(=O)O)C1CCCCC1)N1C(=O)N[C@](C)(c2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
ALDH1A1 P00352 1/20 0.35
F2 P00734 8/20 0.35
F10 P00742 2/20 0.34
PROC P04070 1/20 0.34
F7 P08709 1/20 0.34
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
PLAU P00749 1/20 0.33
HPN P05981 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
SCHEMBL7980916 0.85 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7980918 0.85 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7441768 0.84 CRHBP (0.35) ITGB3ITGA2BALDH1A1
SCHEMBL7981888 0.79 ITGB3 (0.50) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7986512 0.79 ITGB3 (0.56) ITGB3ITGA2BALDH1A1F10
Hydrochloric Acid SCHEMBL8488362 0.79 ITGB3 (0.56) ITGB3ITGA2BALDH1A1F10
Hydrochloric Acid SCHEMBL7969557 0.79 ITGB3 (0.56) ITGB3ITGA2BALDH1A1F10
Hydrochloric Acid SCHEMBL8489120 0.79 ITGB3 (0.56) ITGB3ITGA2BALDH1A1F10
SCHEMBL7985139 0.79 ITGB3 (0.49) ITGB3ITGA2BF7
SCHEMBL8489046 0.77 ITGB3 (0.52) ITGB3ITGA2BALDH1A1

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