SCHEMBL7652034

SCHEMBL7652034

CC(C)(C)[C@H](CC(=O)O)NC(=O)c1ccc(-c2ccccc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)OS(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F7 P08709 15/20 0.53
F3 P13726 15/20 0.53
F10 P00742 14/20 0.53
F2 P00734 13/20 0.53
PRSS1 P07477 4/20 0.53
PRSS2 P07478 4/20 0.53
PRSS3 P35030 4/20 0.53
PLAU P00749 3/20 0.51
F9 P00740 2/20 0.51
F11 P03951 2/20 0.51
PLAT P00750 1/20 0.44
PLG P00747 5/20 0.44
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL7655252 0.93 F10 (0.51) F7F3F10F2PRSS1
SCHEMBL7658975 0.92 F10 (0.58) F7F3F10F2PRSS1
SCHEMBL7652024 0.91 F3 (0.63) F7F3F10F2PRSS1
SCHEMBL7662996 0.89 F3 (0.67) F7F3F10F2PRSS1
SCHEMBL7663005 0.89 F3 (0.67) F7F3F10F2PRSS1
SCHEMBL7658061 0.88 F10 (0.55) F7F3F10F2PRSS1
SCHEMBL7665050 0.86 F3 (0.59) F7F3F10F2PRSS1
SCHEMBL7658969 0.86 F3 (0.61) F7F3F10F2PRSS1
SCHEMBL7660330 0.86 F10 (0.57) F7F3F10F2PRSS1
SCHEMBL7660293 0.86 F10 (0.57) F7F3F10F2PRSS1

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-6358960-B1 FOR THERAPY OF INTRAVASCULAR COAGULATION, CORONARY THROMBOSIS, CEREBRAL INFARCTION, CEREBRAL EMBOLISM, TRANSIENT ISCHEMIC ATTACK, CEREBROVASCULAR DISORDERS, PULMONARY VASCULAR DISEASES, DEEP VENOUS THROMBOSIS, ETC. ONO PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP disclosed