SCHEMBL7655087

SCHEMBL7655087

CC(C)[C@@H](COS(C)(=O)=O)NC(=O)c1ccc(-c2cccnc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 0.52
F2 P00734 19/20 0.52
F10 P00742 19/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
F9 P00740 2/20 0.52
PLAU P00749 2/20 0.52
F11 P03951 2/20 0.52
F3 P13726 17/20 0.51
PLG P00747 8/20 0.46

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
SCHEMBL7655522 0.90 F7 (0.61) F7F2F10PRSS1PRSS2
SCHEMBL7658288 0.89 F3 (0.64) F7F2F10PRSS1PRSS2
SCHEMBL7660664 0.89 F3 (0.64) F7F2F10PRSS1PRSS2
SCHEMBL7661385 0.89 F3 (0.64) F7F2F10PRSS1PRSS2
SCHEMBL7651254 0.89 F7 (0.57) F7F2F10PRSS1PRSS2
SCHEMBL7665939 0.88 F7 (0.59) F7F2F10PRSS1PRSS2
SCHEMBL7665954 0.88 F7 (0.59) F7F2F10PRSS1PRSS2
SCHEMBL7652002 0.87 F7 (0.70) F7F2F10PRSS1PRSS2
SCHEMBL7655095 0.87 F7 (0.49) F7F2F10PRSS1PRSS2
SCHEMBL7654121 0.86 F7 (0.54) F7F2F10PRSS1PRSS2

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 disclosed