SCHEMBL7654425

SCHEMBL7654425

CCOc1ccc(-c2ccc(C(=O)N[C@@H](CCN)C(C)(C)C)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)n1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.73
F9 P00740 9/20 0.73
F10 P00742 8/20 0.73
F2 P00734 6/20 0.73
PRSS1 P07477 5/20 0.73
PRSS2 P07478 5/20 0.73
PRSS3 P35030 5/20 0.73
F11 P03951 5/20 0.73
PLAU P00749 3/20 0.73
F3 P13726 5/20 0.45
PLG P00747 1/20 0.45

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
SCHEMBL7654416 1.00 F7 (0.73) F7F9F10F2PRSS1
SCHEMBL7653572 0.97 F7 (0.69) F7F9F10F2PRSS1
SCHEMBL7653561 0.97 F7 (0.69) F7F9F10F2PRSS1
SCHEMBL7664322 0.95 F7 (0.71) F7F9F10F2PRSS1
SCHEMBL7664336 0.95 F7 (0.71) F7F9F10F2PRSS1
SCHEMBL7654923 0.93 F7 (0.68) F7F9F10F2PRSS1
SCHEMBL7654934 0.93 F7 (0.68) F7F9F10F2PRSS1
SCHEMBL7666804 0.92 F7 (0.85) F7F9F10F2PRSS1
SCHEMBL7666796 0.92 F7 (0.85) F7F9F10F2PRSS1
SCHEMBL7653713 0.92 F7 (0.85) F7F9F10F2PRSS1

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 1 patent. 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