SCHEMBL6984477

SCHEMBL6984477

N=C(N)c1cccc([C@@H]2CN(Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C[C@@H]2OC(=O)O)c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.78
PRSS1 P07477 12/20 0.76

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
SCHEMBL6978763 1.00 F10 (0.78) F10PRSS1
SCHEMBL6985936 0.87 F10 (1.00) F10PRSS1
SCHEMBL6982361 0.87 F10 (1.00) F10PRSS1
SCHEMBL6983775 0.86 F10 (1.00) F10PRSS1
SCHEMBL6978049 0.85 F10 (0.78) F10PRSS1
SCHEMBL6980806 0.85 F10 (1.00) F10PRSS1
SCHEMBL6977107 0.85 F10 (1.00) F10PRSS1
SCHEMBL6983242 0.85 F10 (1.00) F10PRSS1
SCHEMBL6983948 0.85 F10 (1.00) F10PRSS1
SCHEMBL6985094 0.83 F10 (1.00) F10PRSS1

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