SCHEMBL7337901

SCHEMBL7337901

N=C(N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)CC(F)(F)F)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.51
F10 P00742 7/20 0.49
PLG P00747 7/20 0.49
PRSS1 P07477 4/20 0.49
TMPRSS11D O60235 11/20 0.48
XIAP P98170 2/20 0.46

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
SCHEMBL7338542 0.91 F2 (0.54) F2F10PLGPRSS1TMPRSS11D
SCHEMBL7341151 0.91 TMPRSS11D (0.57) F2F10PLGPRSS1TMPRSS11D
SCHEMBL7335753 0.89 F2 (0.52) F2F10PLGPRSS1TMPRSS11D
SCHEMBL7337478 0.88 F2 (0.53) F2F10PLGPRSS1TMPRSS11D
SCHEMBL7346744 0.88 F2 (0.54) F2F10PLGPRSS1TMPRSS11D
SCHEMBL9075660 0.88 F2 (0.51) F2F10PLGPRSS1TMPRSS11D
SCHEMBL7337918 0.88 F2 (0.51) F2F10PLGPRSS1TMPRSS11D
SCHEMBL7334157 0.87 F2 (0.53) F2F10PLGPRSS1
SCHEMBL9073567 0.86 F2 (0.51) F2F10PLGPRSS1TMPRSS11D
SCHEMBL9073514 0.85 F2 (0.50) F2F10PLGXIAP

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