SCHEMBL7659617

SCHEMBL7659617

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

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F3 P13726 18/20 0.77
F2 P00734 14/20 0.77
F10 P00742 14/20 0.77
F7 P08709 13/20 0.77
PRSS1 P07477 1/20 0.77
PRSS2 P07478 1/20 0.77
PRSS3 P35030 1/20 0.77
PLG P00747 8/20 0.62

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
SCHEMBL7665472 0.96 F3 (0.72) F3F2F10F7PRSS1
SCHEMBL7665304 0.93 F3 (0.75) F3F2F10F7PRSS1
SCHEMBL7664239 0.90 F3 (0.75) F3F2F10F7PRSS1
SCHEMBL7664230 0.90 F3 (0.75) F3F2F10F7PRSS1
SCHEMBL7657080 0.90 F3 (0.76) F3F2F10F7PRSS1
SCHEMBL7659145 0.90 F3 (0.70) F3F2F10F7PRSS1
SCHEMBL7660551 0.88 F3 (0.61) F3F2F10F7PRSS1
SCHEMBL7656945 0.88 F3 (0.74) F3F2F10F7PRSS1
SCHEMBL7659178 0.88 F3 (0.74) F3F2F10F7PRSS1
SCHEMBL7651992 0.87 F3 (0.71) 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