SCHEMBL7843349

SCHEMBL7843349

COC(=O)CCc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F7 P08709 17/20 0.62
F3 P13726 16/20 0.62
F2 P00734 16/20 0.62
F10 P00742 16/20 0.62
PRSS1 P07477 2/20 0.62
PRSS2 P07478 2/20 0.62
PRSS3 P35030 2/20 0.62
PLG P00747 9/20 0.56
PLAU P00749 3/20 0.52
PLAT P00750 2/20 0.52
KLK1 P06870 1/20 0.49
KLK5 Q9Y337 1/20 0.49
F9 P00740 1/20 0.47
F11 P03951 1/20 0.47

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
SCHEMBL7657056 0.96 F7 (0.58) F7F3F2F10PRSS1
SCHEMBL7660372 0.96 F7 (0.57) F7F3F2F10PRSS1
SCHEMBL7655682 0.93 F7 (0.54) F7F3F2F10PRSS1
SCHEMBL7657064 0.88 F10 (0.49) F7F3F2F10PRSS1
SCHEMBL7657784 0.86 F3 (0.72) F7F3F2F10PRSS1
SCHEMBL7655686 0.86 F2 (0.47) F7F3F2F10PRSS1
SCHEMBL7654813 0.84 F2 (0.66) F7F3F2F10PRSS1
SCHEMBL7664920 0.83 F3 (0.67) F7F3F2F10PRSS1
SCHEMBL7661337 0.82 F2 (0.69) F7F3F2F10PRSS1
SCHEMBL7663228 0.82 F2 (0.71) F7F3F2F10PRSS1

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
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP claimed