SCHEMBL29905373

SCHEMBL29905373

O=C(N1CCOCC1)N1CCNC(c2cc(NCc3ccc(Cl)s3)n(C(=O)c3cscn3)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 15/20 0.49
▸ KLKB1 P03952 6/20 0.41

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
SCHEMBL29905161 0.91 F2 (0.47) F2KLKB1
SCHEMBL18039994 0.88 F2 (0.53) F2KLKB1
SCHEMBL29905497 0.88 F2 (0.53) F2KLKB1
SCHEMBL18039939 0.84 F2 (0.69) F2KLKB1
SCHEMBL18039918 0.84 F2 (0.54) F2KLKB1
SCHEMBL29905347 0.84 F2 (0.52) F2KLKB1
SCHEMBL29905184 0.83 F2 (0.69) F2KLKB1
SCHEMBL29905488 0.83 F2 (0.55) F2KLKB1
SCHEMBL18039732 0.83 F2 (0.48) F2KLKB1
SCHEMBL18039861 0.82 F2 (0.51) 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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