SCHEMBL7658665

SCHEMBL7658665

COc1ccc(-c2ccc(C(=O)NCC(N)C(C)C)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)n1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 0.76
F10 P00742 16/20 0.76
F2 P00734 15/20 0.76
F9 P00740 5/20 0.76
PRSS1 P07477 4/20 0.76
PRSS2 P07478 4/20 0.76
PRSS3 P35030 4/20 0.76
F11 P03951 4/20 0.76
PLAU P00749 3/20 0.76
F3 P13726 13/20 0.62
PLG P00747 6/20 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
Trifluoroacetic Acid SCHEMBL7662503 0.93 F7 (0.69) F7F10F2F9PRSS1
SCHEMBL7656197 0.93 F7 (0.80) F7F10F2F9PRSS1
SCHEMBL7659064 0.89 F7 (0.75) F7F10F2F9PRSS1
SCHEMBL7658735 0.86 F7 (1.00) F7F10F2F9PRSS1
SCHEMBL7653836 0.86 F7 (0.80) F7F10F2F9PRSS1
SCHEMBL7658734 0.85 F7 (0.81) F7F10F2F9PRSS1
SCHEMBL7658725 0.85 F7 (0.81) F7F10F2F9PRSS1
SCHEMBL7652282 0.85 F7 (0.87) F7F10F2F9PRSS1
SCHEMBL7655200 0.85 F7 (0.87) F7F10F2F9PRSS1
SCHEMBL7660059 0.84 F7 (0.86) F7F10F2F9PRSS1

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