SCHEMBL7844786

SCHEMBL7844786

CC(C)=CCNC(=O)c1ccc(-c2ccc(C)nc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)OS(C)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.51
F7 P08709 19/20 0.51
F2 P00734 18/20 0.51
PRSS1 P07477 3/20 0.51
PRSS2 P07478 3/20 0.51
PRSS3 P35030 3/20 0.51
F9 P00740 2/20 0.51
PLAU P00749 2/20 0.51
F11 P03951 2/20 0.51
F3 P13726 17/20 0.47
PLG P00747 8/20 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
SCHEMBL7844782 0.90 F10 (0.58) F10F7F2PRSS1PRSS2
SCHEMBL7653724 0.88 F10 (0.61) F10F7F2PRSS1PRSS2
SCHEMBL7664226 0.88 F7 (0.56) F10F7F2PRSS1PRSS2
SCHEMBL7663351 0.88 F7 (0.66) F10F7F2PRSS1PRSS2
SCHEMBL7656049 0.85 F7 (0.51) F10F7F2PRSS1PRSS2
SCHEMBL7659087 0.84 F7 (0.56) F10F7F2PRSS1PRSS2
SCHEMBL7660578 0.84 F7 (0.56) F10F7F2PRSS1PRSS2
SCHEMBL7658661 0.83 F7 (0.51) F10F7F2PRSS1PRSS2
SCHEMBL7651261 0.83 F7 (0.54) F10F7F2PRSS1PRSS2
SCHEMBL7662304 0.82 F7 (0.53) F10F7F2PRSS1PRSS2

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 disclosed