SCHEMBL7656938

SCHEMBL7656938

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F3 P13726 19/20 1.00
F7 P08709 18/20 1.00
F2 P00734 18/20 1.00
F10 P00742 18/20 1.00
PRSS1 P07477 1/20 1.00
PRSS2 P07478 1/20 1.00
PRSS3 P35030 1/20 1.00
PLG P00747 9/20 0.80

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
SCHEMBL7657501 0.96 F3 (0.93) F3F7F2F10PRSS1
SCHEMBL7657352 0.93 F3 (0.87) F3F7F2F10PRSS1
SCHEMBL7662164 0.91 F7 (0.84) F3F7F2F10PRSS1
SCHEMBL3810484 0.91 F10 (1.00) F3F7F2F10PRSS1
SCHEMBL7657149 0.91 F7 (0.82) F3F7F2F10PRSS1
SCHEMBL7686526 0.90 F3 (0.82) F3F7F2F10PRSS1
SCHEMBL7656827 0.90 F3 (0.81) F3F7F2F10PRSS1
SCHEMBL7653778 0.90 F3 (0.81) F3F7F2F10PRSS1
SCHEMBL7664577 0.89 F7 (0.82) F3F7F2F10PRSS1
SCHEMBL7657518 0.89 F3 (0.80) F3F7F2F10PRSS1

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