SCHEMBL29905232

SCHEMBL29905232

COCC(C)(C)C(=O)n1nc(C2(C)CCNCC2)cc1NCc1ccc(Cl)s1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 13/20 0.81
▸ KLKB1 P03952 7/20 0.55

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
SCHEMBL29905418 0.91 F2 (0.85) F2KLKB1
SCHEMBL18039787 0.90 F2 (0.66) F2KLKB1
SCHEMBL29905498 0.90 F2 (1.00) F2KLKB1
SCHEMBL29905865 0.86 F2 (0.61) F2KLKB1
SCHEMBL18039930 0.85 F2 (0.59) F2KLKB1
SCHEMBL18039831 0.82 F2 (0.56) F2KLKB1
SCHEMBL18039904 0.82 F2 (0.82) F2KLKB1
SCHEMBL18039814 0.81 F2 (0.69) F2KLKB1
SCHEMBL29905334 0.80 F2 (0.73) F2KLKB1
SCHEMBL29905139 0.80 F2 (0.71) 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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