SCHEMBL7021171

SCHEMBL7021171

CCN(C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.64
F10 P00742 1/20 0.59
PLG P00747 1/20 0.59
PLAT P00750 1/20 0.59
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59

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
SCHEMBL8487625 1.00 F2 (0.64) F2F10PLGPLATPRSS1
SCHEMBL7027350 0.93 F2 (0.62) F2F10PLGPLATPRSS1
SCHEMBL8491944 0.93 F2 (0.62) F2F10PLGPLATPRSS1
SCHEMBL8489097 0.92 F2 (0.60) F2F10PLGPLATPRSS1
SCHEMBL7026062 0.92 F2 (0.60) F2F10PLGPLATPRSS1
SCHEMBL7023605 0.90 F2 (0.60) F2F10PLGPLATPRSS1
SCHEMBL7017279 0.90 F2 (0.79) F2F10PLGPLATPRSS1
SCHEMBL7017283 0.90 F2 (0.79) F2F10PLGPLATPRSS1
SCHEMBL7015978 0.89 F2 (0.78) F2F10PLGPLATPRSS1
SCHEMBL8488500 0.89 F2 (0.78) F2F10PLGPLATPRSS1

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
EP-0739886-B1 Selective thrombin inhibitors LG CHEMICAL LTD (KR) 2003-10-01 EP disclosed
US-5985899-A ANTICOAGULANTS LG CHEMICAL LTD. (KR) 1999-11-16 US disclosed
US-5977114-A Selective thrombin inhibitors LG CHEMICAL LTD. (KR) 1999-11-02 US disclosed
EP-0739886-A2 Selective thrombin inhibitors LG Chemical Limited (KR) 1996-10-30 EP disclosed