SCHEMBL8367659

SCHEMBL8367659

Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2ncncc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 1.00
F10 P00742 4/20 0.80
PRSS1 P07477 3/20 0.65

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
SCHEMBL4427568 1.00 F2 (1.00) F2F10PRSS1
SCHEMBL8368342 0.89 F2 (1.00) F2F10PRSS1
SCHEMBL4427616 0.89 F2 (1.00) F2F10PRSS1
SCHEMBL4430767 0.86 F2 (0.77) F2F10PRSS1
SCHEMBL4425042 0.86 F2 (1.00) F2F10PRSS1
SCHEMBL13885804 0.84 F2 (0.82) F2F10PRSS1
SCHEMBL4427676 0.81 F2 (1.00) F2F10PRSS1
SCHEMBL4420643 0.77 F2 (0.65) F2F10PRSS1
SCHEMBL13885807 0.76 F2 (0.69) F2F10PRSS1
SCHEMBL4427640 0.74 F2 (0.76) F2F10PRSS1

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
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed