SCHEMBL8801010

SCHEMBL8801010

N=C(N)NC(CCCC(N)=O)C(=O)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.44
CTSK P43235 1/20 0.43
F2 P00734 11/20 0.41
F11 P03951 1/20 0.40
PRSS1 P07477 2/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 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
SCHEMBL7404027 0.95 F10 (0.41) F10CTSKF2F11PRSS1
SCHEMBL7950828 0.79 ALDH1A1 (0.42) F10CTSKF2F11
SCHEMBL23862150 0.76 F11 (0.40) F10CTSKF2F11
SCHEMBL8800894 0.76 ALDH1A1 (0.44) F10CTSKF2
SCHEMBL19933184 0.75 NPY4R (0.47) F10F2F11
SCHEMBL23752319 0.75 F11 (0.44) F10CTSKF2F11PRSS1
SCHEMBL19630898 0.74 F2 (0.48) F10CTSKF2F11PRSS1
SCHEMBL8797816 0.74 SMYD3 (0.38)
SCHEMBL24131682 0.73 F10 (0.41) F10CTSKF2F11PRSS1
SCHEMBL22851075 0.73 NPY4R (0.44) F10F2F11

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-0802916-A1 LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS BIOCHEM PHARMA INC (CA) 1997-10-29 EP disclosed