SCHEMBL7025792

SCHEMBL7025792

COc1cc2ccc(S(=O)(=O)N[C@@H](Cc3ccc(C#N)cc3)C(=O)N(C)C3CCCC3)cc2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.69
PRSS1 P07477 3/20 0.69
F10 P00742 1/20 0.60
PLG P00747 1/20 0.60
PLAT P00750 1/20 0.60
PRSS2 P07478 1/20 0.60
PRSS3 P35030 1/20 0.60
F2R P25116 1/20 0.57

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
SCHEMBL7025799 1.00 F2 (0.69) F2PRSS1F10PLGPLAT
SCHEMBL7017279 0.90 F2 (0.79) F2PRSS1F10PLGPLAT
SCHEMBL7017283 0.90 F2 (0.79) F2PRSS1F10PLGPLAT
SCHEMBL7015978 0.89 F2 (0.78) F2PRSS1F10PLGPLAT
SCHEMBL8488500 0.89 F2 (0.78) F2PRSS1F10PLGPLAT
SCHEMBL7023038 0.86 F2 (0.73) F2PRSS1F10PLGPLAT
SCHEMBL8489778 0.86 F2 (0.73) F2PRSS1F10PLGPLAT
SCHEMBL7029580 0.82 AVPR1A (0.52) F2PRSS1
SCHEMBL8489635 0.82 AVPR1A (0.52) F2PRSS1
SCHEMBL7023605 0.81 F2 (0.60) F2PRSS1F10PLGPLAT

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 8 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
CN-1103333-C Selective thrombin inhibitors LG CHEMICAL LTD (KR) 2003-03-19 CN 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
CN-1183766-A Selective thrombin inhibitors LG CHEMICAL LTD (KR) 1998-06-03 CN disclosed
US-5747535-A AMIDINOPHENYL COMPOUNDS LG CHEMICAL LTD. (KR) 1998-05-05 US disclosed
WO-1997049673-A1 SELECTIVE THROMBIN INHIBITORS LG CHEMICAL LTD. (KR) 1997-12-31 WO disclosed
EP-0739886-A2 Selective thrombin inhibitors LG Chemical Limited (KR) 1996-10-30 EP disclosed