SCHEMBL7654537

SCHEMBL7654537

CC(C)(C)CNC(=O)c1ccc(-c2ccccc2CNc2ccc(C(=N)N)cc2)c(C(=O)OS(C)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 18/20 0.49
F10 P00742 15/20 0.49
F2 P00734 14/20 0.49
PRSS1 P07477 4/20 0.49
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
F9 P00740 2/20 0.49
PLAU P00749 2/20 0.49
F11 P03951 2/20 0.49
F3 P13726 14/20 0.43
GCG P01275 1/20 0.40
PLG P00747 5/20 0.39

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
SCHEMBL7654529 0.90 F7 (0.56) F7F10F2PRSS1PRSS2
SCHEMBL7653335 0.88 F7 (0.58) F7F10F2PRSS1PRSS2
SCHEMBL7658757 0.88 F7 (0.59) F7F10F2PRSS1PRSS2
SCHEMBL7658408 0.87 F10 (0.58) F7F10F2PRSS1PRSS2
SCHEMBL7651340 0.85 F2 (0.44) F7F10F2PRSS1PRSS2
SCHEMBL7686983 0.85 F10 (0.51) F7F10F2PRSS1PRSS2
SCHEMBL7652038 0.81 F7 (0.58) F7F10F2PRSS1PRSS2
SCHEMBL7656734 0.81 F10 (0.57) F7F10F2PRSS1PRSS2
SCHEMBL7844103 0.81 F7 (0.53) F7F10F2PRSS1PRSS2
SCHEMBL7651337 0.81 F7 (0.55) F7F10F2PRSS1PRSS2

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