SCHEMBL7306050

SCHEMBL7306050

C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(C=NN)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.50
TMPRSS11D O60235 12/20 0.47
F10 P00742 4/20 0.44
PLG P00747 3/20 0.44
XIAP P98170 1/20 0.44
MLX Q9UH92 1/20 0.44
PRSS1 P07477 2/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ACE P12821 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
SCHEMBL7305884 1.00 F2 (0.50) F2TMPRSS11DF10PLGXIAP
SCHEMBL7341166 0.89 F2 (0.53) F2TMPRSS11DF10PLGPRSS1
SCHEMBL7306031 0.87 TMPRSS11D (0.54) F2TMPRSS11DF10PLGPRSS1
SCHEMBL7305864 0.87 TMPRSS11D (0.54) F2TMPRSS11DF10PLGPRSS1
SCHEMBL7312831 0.84 F2 (0.47) F2TMPRSS11DPRSS1
SCHEMBL7338554 0.84 F2 (0.53) F2TMPRSS11DF10PLGPRSS1
SCHEMBL7337494 0.84 F2 (0.53) F2TMPRSS11DXIAPPRSS1PRSS2
SCHEMBL9073832 0.83 F2 (0.54) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL7346760 0.83 F2 (0.54) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL7335771 0.82 F2 (0.51) F2TMPRSS11DF10PLGPRSS1

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