SCHEMBL7686526

SCHEMBL7686526

CC(C)CCNC(=O)c1ccc(-c2ccccc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F3 P13726 19/20 0.82
F7 P08709 17/20 0.82
F2 P00734 17/20 0.82
F10 P00742 17/20 0.82
PRSS1 P07477 1/20 0.82
PRSS2 P07478 1/20 0.82
PRSS3 P35030 1/20 0.82
PLG P00747 9/20 0.66

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
SCHEMBL7666076 0.96 F3 (0.77) F3F7F2F10PRSS1
SCHEMBL7656938 0.90 F3 (1.00) F3F7F2F10PRSS1
SCHEMBL7658746 0.89 F3 (0.77) F3F7F2F10PRSS1
SCHEMBL7656498 0.89 F3 (0.65) F3F7F2F10PRSS1
SCHEMBL7666086 0.87 F3 (0.64) F3F7F2F10PRSS1
SCHEMBL7657352 0.87 F3 (0.87) F3F7F2F10PRSS1
SCHEMBL7665952 0.87 F3 (0.74) F3F7F2F10PRSS1
SCHEMBL7662185 0.87 F3 (0.74) F3F7F2F10PRSS1
SCHEMBL7657694 0.87 F3 (0.74) F3F7F2F10PRSS1
SCHEMBL7657518 0.87 F3 (0.80) F3F7F2F10PRSS1

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