SCHEMBL8892293

SCHEMBL8892293

CN(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.54
PLG P00747 1/20 0.54
PRSS1 P07477 3/20 0.45
OPRM1 P35372 7/20 0.44
OPRK1 P41145 7/20 0.44
XIAP P98170 2/20 0.43
TACR1 P25103 1/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
OPRD1 P41143 1/20 0.42
EPHA2 P29317 1/20 0.42
TMPRSS11D O60235 1/20 0.41

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
Hydrochloric Acid SCHEMBL7412390 0.99 F2 (0.53) F2PLGPRSS1OPRM1OPRK1
SCHEMBL7446078 0.92 F2 (0.56) F2PLGPRSS1OPRM1OPRK1
Hydrochloric Acid SCHEMBL7414568 0.91 F2 (0.55) F2PLGPRSS1OPRM1OPRK1
SCHEMBL7451955 0.91 F2 (0.55) F2PLGPRSS1OPRM1OPRK1
Hydrochloric Acid SCHEMBL7414559 0.91 F2 (0.54) F2PLGPRSS1OPRM1OPRK1
Hydrochloric Acid SCHEMBL7413020 0.90 F2 (0.54) F2PLGPRSS1OPRM1OPRK1
SCHEMBL7441266 0.89 F2 (0.53) F2PLGPRSS1OPRM1OPRK1
Hydrochloric Acid SCHEMBL7419175 0.89 F2 (0.54) F2PLGPRSS1OPRM1OPRK1
Efegatran SCHEMBL564291 0.89 F2 (0.56) F2PLGPRSS1OPRM1OPRK1
Efegatran SCHEMBL7273879 0.89 F2 (0.56) F2PLGPRSS1OPRM1OPRK1

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-5602101-A THROMBIN INHIBITORS, ANTICOAGULANTS ELI LILLY AND COMPANY (US) 1997-02-11 US claimed