SCHEMBL7653669

SCHEMBL7653669

CC(C)CNC(=O)c1ccc(-c2ccccc2CSc2ccc(C(=N)N)cc2)c(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.68
F7 P08709 18/20 0.68
F3 P13726 18/20 0.68
F2 P00734 18/20 0.68
PRSS1 P07477 1/20 0.68
PRSS2 P07478 1/20 0.68
PRSS3 P35030 1/20 0.68
PLG P00747 12/20 0.59

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
SCHEMBL7663495 0.96 F10 (0.64) F10F7F3F2PRSS1
SCHEMBL7663714 0.89 F10 (0.54) F10F7F3F2PRSS1
SCHEMBL7663500 0.88 F10 (0.53) F10F7F3F2PRSS1
SCHEMBL7679501 0.87 F7 (0.70) F10F7F3F2PRSS1
SCHEMBL7651493 0.84 F7 (0.75) F10F7F3F2PRSS1
SCHEMBL7657601 0.84 F7 (0.66) F10F7F3F2PRSS1
SCHEMBL7656909 0.83 F7 (0.68) F10F7F3F2PRSS1
SCHEMBL6752074 0.83 F7 (0.72) F10F7F3F2PRSS1
SCHEMBL7653328 0.81 F7 (0.70) F10F7F3F2PRSS1
SCHEMBL7656938 0.81 F3 (1.00) F10F7F3F2PRSS1

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 claimed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP claimed