SCHEMBL23997702

SCHEMBL23997702

CC(C)(C)OC(=O)NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1COc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.76
ALDH1A1 P00352 1/20 0.56
F10 P00742 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49

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
SCHEMBL17231945 0.87 F2 (0.76) F2ALDH1A1F10PRSS1PRSS2
SCHEMBL17236245 0.87 F2 (0.79) F2F10PRSS1PRSS2PRSS3
SCHEMBL17231905 0.86 F2 (1.00) F2
SCHEMBL17222134 0.85 F2 (0.74) F2ALDH1A1F10PRSS1PRSS2
SCHEMBL17231954 0.83 ALDH1A1 (0.59) F2ALDH1A1F10PRSS1PRSS2
SCHEMBL17221995 0.83 ALDH1A1 (0.55) F2ALDH1A1F10PRSS1PRSS2
SCHEMBL17221999 0.83 ALDH1A1 (0.55) F2ALDH1A1F10PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL17221942 0.83 F2 (0.89) F2F10PRSS1PRSS2PRSS3
SCHEMBL18155326 0.82 F2 (0.75) F2ALDH1A1F10PRSS1PRSS2
SCHEMBL17231973 0.82 F2 (0.75) F2ALDH1A1F10PRSS1PRSS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922535-B1 THROMBIN INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed