SCHEMBL7337478

SCHEMBL7337478

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.53
TMPRSS11D O60235 9/20 0.48
F10 P00742 5/20 0.46
PRSS1 P07477 1/20 0.45
PLG P00747 2/20 0.45
XIAP P98170 1/20 0.44

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
SCHEMBL7346744 0.92 F2 (0.54) F2TMPRSS11DF10PRSS1PLG
SCHEMBL7338542 0.92 F2 (0.54) F2TMPRSS11DF10PRSS1PLG
SCHEMBL7335753 0.90 F2 (0.52) F2TMPRSS11DF10PRSS1PLG
SCHEMBL7334157 0.89 F2 (0.53) F2F10PRSS1PLG
SCHEMBL7341151 0.89 TMPRSS11D (0.57) F2TMPRSS11DF10PRSS1PLG
SCHEMBL9073567 0.89 F2 (0.51) F2TMPRSS11DF10PRSS1PLG
SCHEMBL7337901 0.88 F2 (0.51) F2TMPRSS11DF10PRSS1PLG
SCHEMBL9076463 0.88 F2 (0.51) F2TMPRSS11DF10PRSS1
SCHEMBL7337494 0.87 F2 (0.53) F2TMPRSS11DPRSS1XIAP
SCHEMBL9075660 0.87 F2 (0.51) F2TMPRSS11DF10PRSS1PLG

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