SCHEMBL7656923

SCHEMBL7656923

CC(C)(C)[C@@H](CO)NC(=O)c1ccc(-c2cnccc2C(=O)Nc2ccc(C(=N)N)nc2)c(C(=O)OS(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F7 P08709 14/20 0.48
F10 P00742 12/20 0.48
F2 P00734 11/20 0.48
F9 P00740 5/20 0.48
PRSS1 P07477 4/20 0.48
PRSS2 P07478 4/20 0.48
PRSS3 P35030 4/20 0.48
F11 P03951 3/20 0.48
PLAU P00749 2/20 0.48
F3 P13726 10/20 0.37
ROCK2 O75116 4/20 0.34
PLG P00747 3/20 0.34
ROCK1 Q13464 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL7656669 0.92 F10 (0.50) F7F10F2F9PRSS1
SCHEMBL7656815 0.92 F7 (0.57) F7F10F2F9PRSS1
SCHEMBL7656905 0.91 F7 (0.55) F7F10F2F9PRSS1
SCHEMBL7657614 0.90 F7 (0.57) F7F10F2F9PRSS1
SCHEMBL7657610 0.90 F7 (0.57) F7F10F2F9PRSS1
SCHEMBL7661296 0.89 F7 (0.52) F7F10F2F9PRSS1
SCHEMBL7656916 0.89 F7 (0.48) F7F10F2F9PRSS1
SCHEMBL7657449 0.88 F7 (0.53) F7F10F2F9PRSS1
SCHEMBL7854770 0.83 F7 (0.65) F7F10F2F9PRSS1
SCHEMBL7654128 0.82 F7 (0.46) 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 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