SCHEMBL7844103

SCHEMBL7844103

CC(C)CNC(=O)c1ccc(-c2cc3ccccc3cc2CNc2ccc(C(=N)N)cc2)c(C(=O)OS(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 0.53
F3 P13726 19/20 0.53
F2 P00734 19/20 0.53
F10 P00742 19/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
PLG P00747 9/20 0.51

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
SCHEMBL7653335 0.91 F7 (0.58) F7F3F2F10PRSS1
SCHEMBL7664244 0.90 F7 (0.64) F7F3F2F10PRSS1
SCHEMBL7656855 0.89 F7 (0.61) F7F3F2F10PRSS1
SCHEMBL7657477 0.88 F7 (0.68) F7F3F2F10PRSS1
SCHEMBL7661953 0.87 F7 (0.64) F7F3F2F10PRSS1
SCHEMBL7651310 0.86 F2 (0.43) F7F3F2F10PRSS1
SCHEMBL7651982 0.84 F10 (0.49) F7F3F2F10PRSS1
SCHEMBL7657514 0.83 F3 (0.77) F7F3F2F10PRSS1
SCHEMBL7657918 0.81 F7 (0.56) F7F3F2F10PRSS1
SCHEMBL7654537 0.81 F7 (0.49) 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 disclosed