SCHEMBL7337494

SCHEMBL7337494

CC(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(C=NN)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.53
PRSS1 P07477 5/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
TMPRSS11D O60235 2/20 0.41
XIAP P98170 3/20 0.41
ACE P12821 4/20 0.41
ACE2 Q9BYF1 4/20 0.41
OPRM1 P35372 1/20 0.40

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
SCHEMBL7346760 0.92 F2 (0.54) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL9073832 0.92 F2 (0.54) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL7338554 0.91 F2 (0.53) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL7341166 0.89 F2 (0.53) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL7334169 0.89 F2 (0.53) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL7335771 0.89 F2 (0.51) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL9076469 0.88 F2 (0.51) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL7337918 0.88 F2 (0.51) F2PRSS1TMPRSS11DXIAPOPRM1
SCHEMBL7337478 0.87 F2 (0.53) F2PRSS1TMPRSS11DXIAP
SCHEMBL9075674 0.87 F2 (0.51) F2PRSS1PRSS2PRSS3TMPRSS11D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP claimed
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP disclosed