SCHEMBL7651337

SCHEMBL7651337

COC(=O)C(C)(C)CNC(=O)c1ccc(-c2ccccc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)OS(C)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F7 P08709 16/20 0.55
F10 P00742 16/20 0.55
F2 P00734 15/20 0.55
F3 P13726 15/20 0.55
PRSS1 P07477 3/20 0.55
PRSS2 P07478 3/20 0.55
PRSS3 P35030 3/20 0.55
PLAU P00749 2/20 0.50
F9 P00740 1/20 0.50
F11 P03951 1/20 0.50
PLG P00747 6/20 0.46
PLAT P00750 1/20 0.43
KLK1 P06870 1/20 0.43
KLK5 Q9Y337 1/20 0.43

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
SCHEMBL7652038 0.92 F7 (0.58) F7F10F2F3PRSS1
SCHEMBL7658408 0.91 F10 (0.58) F7F10F2F3PRSS1
SCHEMBL7651325 0.91 F7 (0.65) F7F10F2F3PRSS1
SCHEMBL7656734 0.91 F10 (0.57) F7F10F2F3PRSS1
SCHEMBL7657777 0.89 F7 (0.56) F7F10F2F3PRSS1
SCHEMBL7657063 0.89 F7 (0.69) F7F10F2F3PRSS1
SCHEMBL7662813 0.87 F2 (0.61) F7F10F2F3PRSS1
SCHEMBL7664202 0.86 F10 (0.56) F7F10F2F3PRSS1
SCHEMBL7652025 0.86 F7 (0.56) F7F10F2F3PRSS1
SCHEMBL7656650 0.85 F2 (0.59) F7F10F2F3PRSS1

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