SCHEMBL7657449

SCHEMBL7657449

CC(C)(C)[C@@H](CO)NC(=O)c1ccc(-c2cccnc2C(=O)Nc2ccc(C(=N)N)nc2)c(C(=O)OS(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F7 P08709 11/20 0.53
F10 P00742 10/20 0.53
F9 P00740 7/20 0.53
PRSS1 P07477 7/20 0.53
PRSS2 P07478 7/20 0.53
PRSS3 P35030 7/20 0.53
F2 P00734 6/20 0.53
F11 P03951 4/20 0.53
PLAU P00749 3/20 0.53
F3 P13726 3/20 0.35
MAPK8 P45983 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
ROCK2 O75116 1/20 0.32

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
SCHEMBL7655527 0.92 F10 (0.62) F7F10F9PRSS1PRSS2
SCHEMBL7657436 0.91 F7 (0.60) F7F10F9PRSS1PRSS2
SCHEMBL7656669 0.91 F10 (0.50) F7F10F9PRSS1PRSS2
SCHEMBL7694146 0.90 F7 (0.63) F7F10F9PRSS1PRSS2
SCHEMBL7694149 0.90 F7 (0.63) F7F10F9PRSS1PRSS2
SCHEMBL7657441 0.88 F7 (0.52) F7F10F9PRSS1PRSS2
SCHEMBL7656923 0.88 F7 (0.48) F7F10F9PRSS1PRSS2
SCHEMBL7661296 0.86 F7 (0.52) F7F10F9PRSS1PRSS2
SCHEMBL7655515 0.83 F7 (0.70) F7F10F9PRSS1PRSS2
SCHEMBL7655095 0.82 F7 (0.49) F7F10F9PRSS1PRSS2

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