SCHEMBL7154243

SCHEMBL7154243

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(=N)N

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.50
F2 P00734 4/20 0.48
F10 P00742 3/20 0.48
PLG P00747 3/20 0.48
FKBP1A P62942 5/20 0.47
PRCP P42785 1/20 0.46
XIAP P98170 1/20 0.45

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
SCHEMBL7155123 0.92 TMPRSS11D (0.47) TMPRSS11DF2F10PLGFKBP1A
SCHEMBL7451955 0.88 F2 (0.55) TMPRSS11DF2F10PLGXIAP
SCHEMBL7154250 0.88 TMPRSS11D (0.47) TMPRSS11DF2F10PLGFKBP1A
Hydrochloric Acid SCHEMBL7414559 0.88 F2 (0.54) TMPRSS11DF2F10PLGXIAP
SCHEMBL7102494 0.87 TMPRSS11D (0.58) TMPRSS11DF2F10PLGFKBP1A
SCHEMBL7102558 0.85 TMPRSS11D (0.52) TMPRSS11DF2F10PLG
SCHEMBL7338542 0.85 F2 (0.54) TMPRSS11DF2F10PLG
SCHEMBL7106028 0.85 TMPRSS11D (0.68) TMPRSS11DF2F10PLG
SCHEMBL6971395 0.85 F2 (0.59) F2F10PLG
SCHEMBL7350464 0.85 F2 (0.59) F2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534536-B1 Alkylsulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-03-18 US claimed