SCHEMBL7686439

SCHEMBL7686439

CC(NC(=O)c1ccc(-c2ccccc2C(=O)Nc2ccc(C(=N)N)c(OCc3ccccc3)c2)c(C(=O)OCc2ccccc2)c1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F3 P13726 13/20 0.47
F2 P00734 7/20 0.47
F7 P08709 7/20 0.47
F10 P00742 6/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
PLG P00747 2/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GRM5 P41594 1/20 0.41
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL7656580 0.90 F3 (0.58) F3F2F7F10PRSS1
SCHEMBL7689356 0.88 F3 (0.63) F3F2F7F10PRSS1
SCHEMBL7651999 0.83 F7 (0.51) F3F2F7F10PRSS1
SCHEMBL7661746 0.83 F2 (0.59) F3F2F7F10PRSS1
SCHEMBL7653678 0.82 F3 (0.62) F3F2F7F10PRSS1
SCHEMBL7659099 0.82 F7 (0.49) F3F2F7F10PRSS1
SCHEMBL7664274 0.81 F3 (0.60) F3F2F7F10PRSS1
SCHEMBL7654080 0.81 F3 (0.60) F3F2F7F10PRSS1
SCHEMBL7664223 0.81 F3 (0.53) F3F2F7F10PRSS1
SCHEMBL7659312 0.80 F7 (0.60) F3F2F7F10PRSS1

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