SCHEMBL7305864

SCHEMBL7305864

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.54
F2 P00734 7/20 0.51
F10 P00742 6/20 0.51
PLG P00747 5/20 0.51
PRSS1 P07477 3/20 0.51

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
SCHEMBL7306031 1.00 TMPRSS11D (0.54) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7341151 0.89 TMPRSS11D (0.57) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7305884 0.87 F2 (0.50) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7306050 0.87 F2 (0.50) TMPRSS11DF2F10PLGPRSS1
SCHEMBL9074207 0.86 F2 (0.47) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7338542 0.85 F2 (0.54) TMPRSS11DF2F10PLGPRSS1
SCHEMBL9076763 0.85 F2 (0.59) TMPRSS11DF2F10PLGPRSS1
SCHEMBL9076770 0.85 F2 (0.59) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7312823 0.84 F2 (0.51) TMPRSS11DF2F10PLGPRSS1
SCHEMBL9074210 0.84 F2 (0.47) TMPRSS11DF2F10PLGPRSS1

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