SCHEMBL7686983

SCHEMBL7686983

CC(C)(C)[C@@H](CO)NC(=O)c1ccc(-c2ccccc2CNc2ccc(C(=N)N)cc2)c(C(=O)OS(C)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.51
F7 P08709 11/20 0.51
F2 P00734 8/20 0.51
F9 P00740 4/20 0.51
PRSS1 P07477 4/20 0.51
PRSS2 P07478 3/20 0.51
PRSS3 P35030 3/20 0.51
F11 P03951 2/20 0.51
PLAU P00749 1/20 0.51
F3 P13726 6/20 0.40
PLG P00747 1/20 0.35
KCNA5 P22460 1/20 0.35
GCG P01275 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL7690695 0.88 F7 (0.61) F10F7F2F9PRSS1
SCHEMBL7690699 0.88 F7 (0.61) F10F7F2F9PRSS1
SCHEMBL7658975 0.88 F10 (0.58) F10F7F2F9PRSS1
SCHEMBL7686979 0.87 F7 (0.50) F10F7F2F9PRSS1
SCHEMBL7654537 0.85 F7 (0.49) F10F7F2F9PRSS1
SCHEMBL7653335 0.84 F7 (0.58) F10F7F2PRSS1PRSS2
SCHEMBL7651340 0.83 F2 (0.44) F10F7F2PRSS1PRSS2
SCHEMBL7661790 0.82 F7 (0.47) F10F7F2F9PRSS1
SCHEMBL7655527 0.82 F10 (0.62) F10F7F2F9PRSS1
SCHEMBL7854302 0.80 F7 (0.56) F10F7F2F9PRSS1

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