SCHEMBL7686979

SCHEMBL7686979

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 0.50
F2 P00734 16/20 0.50
F10 P00742 16/20 0.50
PRSS1 P07477 4/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
F9 P00740 3/20 0.50
PLAU P00749 2/20 0.50
F11 P03951 2/20 0.50
F3 P13726 15/20 0.46
PLG P00747 6/20 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
SCHEMBL7658969 0.88 F3 (0.61) F7F2F10PRSS1PRSS2
SCHEMBL7690695 0.88 F7 (0.61) F7F2F10PRSS1PRSS2
SCHEMBL7690699 0.88 F7 (0.61) F7F2F10PRSS1PRSS2
SCHEMBL7686983 0.87 F10 (0.51) F7F2F10PRSS1PRSS2
SCHEMBL7661782 0.83 F7 (0.47) F7F2F10PRSS1PRSS2
SCHEMBL7655522 0.82 F7 (0.61) F7F2F10PRSS1PRSS2
SCHEMBL7654529 0.81 F7 (0.56) F7F2F10PRSS1PRSS2
SCHEMBL7656810 0.81 F7 (0.57) F7F2F10PRSS1PRSS2
SCHEMBL7854298 0.81 F7 (0.55) F7F2F10PRSS1PRSS2
SCHEMBL7656661 0.80 F3 (0.49) F7F2F10PRSS1PRSS2

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