SCHEMBL18155326

SCHEMBL18155326

CC(C)(C)OC(=O)NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCN1C(=O)C1OCc2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.75
ALDH1A1 P00352 1/20 0.49
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL17231973 1.00 F2 (0.75) F2ALDH1A1F10PRSS1PRSS2
SCHEMBL17231945 0.95 F2 (0.76) F2ALDH1A1F10PRSS1PRSS2
SCHEMBL17236162 0.86 F2 (1.00) F2
SCHEMBL17236225 0.84 ALDH1A1 (0.54) F2ALDH1A1F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL17222092 0.83 F2 (0.89) F2F10PRSS1PRSS2PRSS3
SCHEMBL23997702 0.82 F2 (0.76) F2ALDH1A1F10PRSS1PRSS2
SCHEMBL17236201 0.82 ALDH1A1 (0.52) F2ALDH1A1F10PRSS1PRSS2
SCHEMBL17222111 0.82 F2 (0.51) F2ALDH1A1F10PRSS1PRSS2
SCHEMBL17222108 0.82 F2 (0.51) F2ALDH1A1F10PRSS1PRSS2
SCHEMBL17231901 0.82 F2 (0.79) 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
EP-2922535-B1 THROMBIN INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
US-9469608-B2 Thrombin inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed