SCHEMBL8501000

SCHEMBL8501000

N=C(N)c1ccc(OC(=O)[C@@H](N)CC(=O)OC(=O)CCC(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.38
TMPRSS15 P98073 5/20 0.38
F2 P00734 3/20 0.37
ST14 Q9Y5Y6 3/20 0.37
PLAU P00749 2/20 0.37
TMPRSS2 O15393 2/20 0.37
PRMT1 Q99873 3/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
PRMT5 O14744 1/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
PTP4A3 O75365 1/20 0.36
SLC22A3 O75751 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
S100B P04271 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL8905138 0.79 PRSS1 (0.50) PRSS1TMPRSS15F2ST14PLAU
Hydrochloric Acid SCHEMBL8500971 0.78 PRSS1 (0.51) PRSS1TMPRSS15F2ST14PLAU
SCHEMBL8903635 0.74 CPN1 (0.41) PRSS1F2ST14PLAUPRSS2
SCHEMBL8503419 0.72 PRSS1 (0.51) PRSS1TMPRSS15F2ST14PLAU
Hydrochloric Acid SCHEMBL8497832 0.71 PRSS1 (0.53) PRSS1F2ST14PLAUTMPRSS2
SCHEMBL8905203 0.71 F2 (0.41) PRSS1TMPRSS15F2PRSS2PRSS3
SCHEMBL4806554 0.70 PRSS1 (0.52) PRSS1TMPRSS15F2ST14PLAU
SCHEMBL8903611 0.69 PRSS1 (0.36) PRSS1F2ST14PLAUTMPRSS2
SCHEMBL11767220 0.69 ESR1 (0.66) PRSS1F2ST14PLAUTMPRSS2
SCHEMBL8903672 0.68 F2 (0.39) PRSS1TMPRSS15F2PLAUPRSS2

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-5886208-A Substituted B-amino acid derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1999-03-23 US disclosed