SCHEMBL7338554

SCHEMBL7338554

CCS(=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 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.53
TMPRSS11D O60235 8/20 0.44
PRSS1 P07477 6/20 0.43
PRSS2 P07478 4/20 0.43
PRSS3 P35030 4/20 0.43
F10 P00742 2/20 0.42
PLG P00747 1/20 0.42

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
SCHEMBL7335771 0.94 F2 (0.51) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL7341166 0.93 F2 (0.53) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9073832 0.93 F2 (0.54) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL7346760 0.93 F2 (0.54) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL7337494 0.91 F2 (0.53) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL7337918 0.91 F2 (0.51) F2TMPRSS11DPRSS1F10PLG
SCHEMBL7334169 0.90 F2 (0.53) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9076469 0.89 F2 (0.51) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL7338542 0.88 F2 (0.54) F2TMPRSS11DPRSS1F10PLG
SCHEMBL9075674 0.87 F2 (0.51) F2TMPRSS11DPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US claimed
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