SCHEMBL8526765

SCHEMBL8526765

N=C(N)c1cccc(C[C@@H](C(N)=O)N(Cc2ccc(CNC(N)=O)cc2)C(=O)C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.45
F2 P00734 5/20 0.45
PRSS1 P07477 5/20 0.45
TMPRSS6 Q8IU80 2/20 0.42
TPSAB1 Q15661 2/20 0.40
HPN P05981 2/20 0.40
HGFAC Q04756 2/20 0.40
ST14 Q9Y5Y6 2/20 0.40
PPARG P37231 1/20 0.40
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL8525743 0.91 F10 (0.39) F10F2PRSS1TMPRSS6HPN
SCHEMBL8525704 0.90 F10 (0.44) F10F2PRSS1ST14PRSS2
SCHEMBL7041569 0.89 PPARG (0.39) F10F2PRSS1PPARG
SCHEMBL7058207 0.89 PRSS1 (0.41) F10F2PRSS1PRSS2PRSS3
SCHEMBL6900983 0.89 PRSS1 (0.41) F10F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8122656 0.88 PRSS1 (0.40) F10F2PRSS1PRSS2PRSS3
SCHEMBL8526150 0.88 PLAU (0.41) F10F2PRSS1PRSS2PRSS3
SCHEMBL8527152 0.85 PPID (0.48) F10F2PRSS1TMPRSS6
SCHEMBL1389004 0.85 F10 (0.44) F10F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8641408 0.85 PPID (0.48) F10F2PRSS1TMPRSS6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed