SCHEMBL8069721

SCHEMBL8069721

Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(O)c1CC(=O)N[C@H](C=O)Cc1cccc(C(=N)N)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.48
PRSS1 P07477 15/20 0.48
PRSS2 P07478 14/20 0.48
PRSS3 P35030 14/20 0.48
ADRA1B P35368 1/20 0.43
F10 P00742 1/20 0.39

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
SCHEMBL7448006 0.82 F2 (0.45) F2PRSS1PRSS2PRSS3ADRA1B
SCHEMBL7449025 0.72 ADRA1B (0.41) F2PRSS1PRSS2PRSS3ADRA1B
Trifluoroacetic Acid SCHEMBL8067875 0.69 ADRA1B (0.39) F2PRSS1PRSS2PRSS3ADRA1B
SCHEMBL6762058 0.65 F2 (0.54) F2PRSS1PRSS2PRSS3ADRA1B
SCHEMBL7333722 0.64 F2 (0.60) F2PRSS1PRSS2PRSS3F10
SCHEMBL14563534 0.63 ALDH1A1 (0.46) F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6162125 0.61 F2 (0.51) F2PRSS1PRSS2PRSS3ADRA1B
SCHEMBL8553223 0.61 PRSS1 (0.63) F2PRSS1PRSS2PRSS3F10
SCHEMBL16485210 0.61 CTSC (0.57)
SCHEMBL31615866 0.61 HPGD (0.55)

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
US-6011047-A Substituted 3-amino-2-hydroxyphenylacetamide derivatives as enzyme inhibitors CORVAS INTERNATIONAL INC. (US) 2000-01-04 US disclosed