SCHEMBL7341151

SCHEMBL7341151

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.57
F2 P00734 7/20 0.55
F10 P00742 7/20 0.55
PLG P00747 6/20 0.55
PRSS1 P07477 5/20 0.53
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 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 0.94 F2 (0.54) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7335753 0.92 F2 (0.52) TMPRSS11DF2F10PLGPRSS1
SCHEMBL9085053 0.91 TMPRSS11D (0.52) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7346744 0.91 F2 (0.54) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7337901 0.91 F2 (0.51) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7334157 0.90 F2 (0.53) F2F10PLGPRSS1PRSS2
SCHEMBL7337478 0.89 F2 (0.53) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7305864 0.89 TMPRSS11D (0.54) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7306031 0.89 TMPRSS11D (0.54) TMPRSS11DF2F10PLGPRSS1
SCHEMBL9011946 0.89 TMPRSS11D (0.55) 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 2 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 disclosed
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP disclosed