SCHEMBL29905144

SCHEMBL29905144

COCCN1CCC(c2cc(NCc3ccc(Cl)s3)n(C(=O)C(C)(C)CO)n2)CC1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 14/20 0.73
▸ KLKB1 P03952 8/20 0.63

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
SCHEMBL29905242 0.93 F2 (0.72) F2KLKB1
SCHEMBL18039899 0.92 F2 (0.71) F2KLKB1
SCHEMBL20474008 0.90 F2 (0.84) F2KLKB1
SCHEMBL29905258 0.88 F2 (0.77) F2KLKB1
SCHEMBL29905740 0.88 F2 (0.77) F2KLKB1
SCHEMBL29905145 0.87 F2 (0.76) F2KLKB1
SCHEMBL29905222 0.86 F2 (0.76) F2KLKB1
SCHEMBL29905345 0.85 F2 (0.68) F2KLKB1
SCHEMBL29905814 0.85 F2 (0.75) F2KLKB1
SCHEMBL20474013 0.85 F2 (0.70) F2KLKB1

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-3261639-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INT CORPORATION (US) 2022-08-24 — — EP claimed
EP-3261639-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INT CORPORATION (US) 2022-08-24 — — EP disclosed
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