SCHEMBL7589201

SCHEMBL7589201

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.70
PRSS1 P07477 7/20 0.55

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
SCHEMBL7586431 0.90 F2 (0.69) F2PRSS1
SCHEMBL9012310 0.89 F2 (0.55) F2PRSS1
SCHEMBL13061899 0.89 F2 (0.75) F2PRSS1
SCHEMBL7585036 0.89 F2 (0.75) F2PRSS1
SCHEMBL7346744 0.88 F2 (0.54) F2PRSS1
SCHEMBL9073832 0.88 F2 (0.54) F2PRSS1
SCHEMBL7346760 0.88 F2 (0.54) F2PRSS1
SCHEMBL9281527 0.86 F2 (0.51) F2PRSS1
SCHEMBL7339322 0.85 F2 (0.51) F2PRSS1
Trifluoroacetic Acid SCHEMBL9012341 0.85 CHRM3 (0.57) F2PRSS1

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