SCHEMBL29905317

SCHEMBL29905317

CC(C)(C)C(=O)N1CCC(c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccsc3)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 13/20 0.64
▸ KLKB1 P03952 7/20 0.52

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
SCHEMBL29905386 0.91 F2 (0.60) F2KLKB1
SCHEMBL20506271 0.90 F2 (0.55) F2KLKB1
SCHEMBL29905121 0.88 F2 (0.81) F2KLKB1
SCHEMBL29905944 0.86 F2 (0.69) F2KLKB1
Hydrochloric Acid SCHEMBL29905266 0.84 F2 (0.68) F2KLKB1
SCHEMBL22653345 0.84 F2 (0.54) F2KLKB1
SCHEMBL18039903 0.83 F2 (0.57) F2KLKB1
SCHEMBL29905958 0.83 F2 (0.53) F2KLKB1
SCHEMBL29905427 0.83 F2 (0.64) F2KLKB1
SCHEMBL29905170 0.83 F2 (0.78) 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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