SCHEMBL6981705

SCHEMBL6981705

N=C(N)c1cccc(C2=C(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)CN(Cc3ccccc3)C2)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.64
PRSS1 P07477 11/20 0.64
PRSS2 P07478 10/20 0.64
PRSS3 P35030 10/20 0.64
F2 P00734 10/20 0.62

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
SCHEMBL6981053 0.84 F10 (0.67) F10PRSS1PRSS2PRSS3F2
SCHEMBL7494748 0.81 F10 (0.73) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6203384 0.78 F10 (0.76) F10PRSS1PRSS2PRSS3F2
Trifluoroacetic Acid SCHEMBL6161266 0.75 F10 (1.00) F10PRSS1PRSS2PRSS3F2
SCHEMBL7450111 0.74 F10 (0.72) F10PRSS1PRSS2PRSS3F2
SCHEMBL7116798 0.73 F10 (0.64) F10PRSS1PRSS2PRSS3F2
SCHEMBL7115152 0.73 F10 (0.75) F10PRSS1PRSS2PRSS3F2
SCHEMBL7099736 0.73 F10 (0.62) F10PRSS1PRSS2PRSS3F2
SCHEMBL30518576 0.73 F10 (1.00) F10PRSS1PRSS2PRSS3F2
SCHEMBL6752166 0.73 F10 (0.66) F10PRSS1PRSS2PRSS3F2

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-0934265-B1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-01-02 EP claimed