SCHEMBL7656669

SCHEMBL7656669

CC(C)(C)[C@@H](CO)NC(=O)c1ccc(-c2ccccc2C(=O)Nc2ccc(C(=N)N)nc2)c(C(=O)OS(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.50
F7 P08709 6/20 0.50
PRSS1 P07477 5/20 0.50
PRSS2 P07478 5/20 0.50
PRSS3 P35030 5/20 0.50
F2 P00734 5/20 0.50
F9 P00740 4/20 0.50
F11 P03951 2/20 0.50
PLAU P00749 2/20 0.50
F3 P13726 8/20 0.43
DGAT2 Q96PD7 1/20 0.37
PLAT P00750 1/20 0.36

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
SCHEMBL7656923 0.92 F7 (0.48) F10F7PRSS1PRSS2PRSS3
SCHEMBL7657449 0.91 F7 (0.53) F10F7PRSS1PRSS2PRSS3
SCHEMBL7661296 0.91 F7 (0.52) F10F7PRSS1PRSS2PRSS3
SCHEMBL7658975 0.90 F10 (0.58) F10F7PRSS1PRSS2PRSS3
SCHEMBL7661514 0.89 F7 (0.60) F10F7PRSS1PRSS2PRSS3
SCHEMBL7661508 0.89 F7 (0.60) F10F7PRSS1PRSS2PRSS3
SCHEMBL7656661 0.87 F3 (0.49) F10F7PRSS1PRSS2PRSS3
SCHEMBL7651407 0.85 F3 (0.61) F10F7PRSS1PRSS2PRSS3
SCHEMBL7656815 0.83 F7 (0.57) F10F7PRSS1PRSS2PRSS3
SCHEMBL7656905 0.83 F7 (0.55) F10F7PRSS1PRSS2PRSS3

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