SCHEMBL7654146

SCHEMBL7654146

CCOC(=O)CCCNC(=O)c1ccc(-c2ccccc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F3 P13726 19/20 0.66
F2 P00734 18/20 0.66
F10 P00742 18/20 0.66
F7 P08709 18/20 0.66
PRSS1 P07477 1/20 0.66
PRSS2 P07478 1/20 0.66
PRSS3 P35030 1/20 0.66
PLG P00747 9/20 0.54

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
SCHEMBL7651947 0.97 F3 (0.62) F3F2F10F7PRSS1
SCHEMBL7662476 0.92 F3 (0.56) F3F2F10F7PRSS1
SCHEMBL7651958 0.89 F2 (0.53) F3F2F10F7PRSS1
SCHEMBL7665952 0.88 F3 (0.74) F3F2F10F7PRSS1
SCHEMBL7666080 0.88 F3 (0.71) F3F2F10F7PRSS1
Hydrochloric Acid SCHEMBL7659471 0.87 F3 (0.70) F3F2F10F7PRSS1
SCHEMBL7659200 0.87 F3 (0.73) F3F2F10F7PRSS1
SCHEMBL7657784 0.87 F3 (0.72) F3F2F10F7PRSS1
SCHEMBL7657516 0.87 F3 (0.72) F3F2F10F7PRSS1
SCHEMBL7658746 0.86 F3 (0.77) F3F2F10F7PRSS1

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