SCHEMBL7586431

SCHEMBL7586431

N[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.69
PRSS1 P07477 4/20 0.52
TMPRSS11D O60235 7/20 0.52
F10 P00742 1/20 0.51
PLG P00747 1/20 0.51

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
SCHEMBL7589201 0.90 F2 (0.70) F2PRSS1
Hydrochloric Acid SCHEMBL15251679 0.90 F2 (0.60) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9087480 0.90 TMPRSS11D (0.57) F2PRSS1TMPRSS11DF10PLG
SCHEMBL7341166 0.88 F2 (0.53) F2PRSS1TMPRSS11DF10PLG
SCHEMBL7341151 0.88 TMPRSS11D (0.57) F2PRSS1TMPRSS11DF10PLG
SCHEMBL7585036 0.86 F2 (0.75) F2PRSS1
SCHEMBL13061899 0.86 F2 (0.75) F2PRSS1
SCHEMBL9085053 0.86 TMPRSS11D (0.52) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9085068 0.85 F2 (0.50) F2PRSS1TMPRSS11DF10PLG
SCHEMBL9088895 0.84 STS (0.54) F2TMPRSS11DF10PLG

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-0772590-B1 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-10-09 EP disclosed
US-5714485-A Piperidine and hexahydropyridazine thrombin inhibitors MERCK & CO., INC. (US) 1998-02-03 US disclosed
US-5510369-A ANTICOAGULANTS MERCK & CO., INC. (US) 1996-04-23 US disclosed