SCHEMBL8368175

SCHEMBL8368175

Cc1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.59
F10 P00742 2/20 0.59
PRSS1 P07477 11/20 0.55
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53

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
SCHEMBL4431628 0.91 F2 (0.58) F2F10PRSS1PRSS2PRSS3
SCHEMBL8366491 0.88 F2 (0.56) F2F10PRSS1PRSS2PRSS3
SCHEMBL4421155 0.87 F2 (0.57) F2F10PRSS1PRSS2PRSS3
SCHEMBL8366434 0.84 F2 (0.74) F2F10PRSS1PRSS2PRSS3
SCHEMBL14131869 0.84 F2 (0.56) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL5124376 0.81 F2 (0.54) F2F10PRSS1PRSS2PRSS3
SCHEMBL8367660 0.80 ATM (0.44) F2F10PRSS1
SCHEMBL4427658 0.79 F2 (0.60) F2F10PRSS1PRSS2PRSS3
SCHEMBL13885838 0.76 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL4422054 0.76 F2 (1.00) F2F10PRSS1PRSS2PRSS3

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 2 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
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed