SCHEMBL29905941

SCHEMBL29905941

CC(C)(C)C(=O)n1nc(C2CCOCC2)cc1NCc1ccc(Cl)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 1.00
▸ KLKB1 P03952 4/20 0.57
▸ F11 P03951 1/20 0.57
▸ CTRB1 P17538 1/20 0.57
▸ CTRL P40313 1/20 0.57
▸ CTRB2 Q6GPI1 1/20 0.57
▸ CTRC Q99895 1/20 0.57

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
SCHEMBL18040034 0.91 F2 (0.83) F2KLKB1F11CTRB1CTRL
SCHEMBL18039914 0.90 F2 (0.82) F2KLKB1F11CTRB1CTRL
SCHEMBL29905121 0.90 F2 (0.81) F2KLKB1F11CTRB1CTRL
SCHEMBL18039873 0.90 F2 (1.00) F2KLKB1F11CTRB1CTRL
SCHEMBL29905517 0.89 F2 (0.79) F2KLKB1F11CTRB1CTRL
SCHEMBL29905170 0.88 F2 (0.78) F2KLKB1F11CTRB1CTRL
SCHEMBL20473866 0.87 F2 (0.83) F2KLKB1F11CTRB1CTRL
SCHEMBL18039898 0.87 F2 (0.78) F2KLKB1F11CTRB1CTRL
SCHEMBL18039963 0.87 F2 (0.77) F2KLKB1F11CTRB1CTRL
SCHEMBL18039955 0.87 F2 (0.77) F2KLKB1F11CTRB1CTRL

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