SCHEMBL7315371

SCHEMBL7315371

N=C(N)c1ccc(CNC(=O)[C@]23C[C@H]2CCN3C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 15/20 0.51
F2 P00734 9/20 0.49
F10 P00742 4/20 0.49
PLG P00747 4/20 0.49
TMPRSS6 Q8IU80 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
Hydrochloric Acid SCHEMBL7944779 0.99 TMPRSS11D (0.50) TMPRSS11DF2F10PLGTMPRSS6
SCHEMBL7393489 0.86 PROC (0.57) F2F10TMPRSS6
Hydrochloric Acid SCHEMBL7951695 0.85 PROC (0.56) F2F10TMPRSS6
SCHEMBL7316950 0.85 F2 (0.51) F2
Hydrochloric Acid SCHEMBL7953121 0.84 F2 (0.52) F2PLG
SCHEMBL7311919 0.80 TPSAB1 (0.48) F2F10
Hydrochloric Acid SCHEMBL7955507 0.80 TPSAB1 (0.48) F2F10
SCHEMBL7306531 0.76 PROC (0.55) F2F10
Hydrochloric Acid SCHEMBL7953794 0.75 PROC (0.55) F2F10
Hydrochloric Acid SCHEMBL7951566 0.75 PROC (0.55) F2F10

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-1050534-B1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2001-12-05 EP disclosed
US-6288077-B1 2-AZABICYCLO(3.1.0)HEXANE-1,2-DICARBOXYLIC AMIDE OR 2-AZABICYCLO(4.1.0)HEPTANE-1,2-DICARBOXYLIC AMIDE DERIVATIVE; TRYPSIN-LIKE SERINE PROTEASE INHIBITOR; ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-09-11 US disclosed
EP-1050534-A1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-11-08 EP disclosed