SCHEMBL29905258

SCHEMBL29905258

CC(C)(CO)C(=O)n1nc(C2CCN(CC3CC3)CC2)cc1NCc1ccc(Cl)s1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 17/20 0.77
▸ KLKB1 P03952 6/20 0.52
▸ F11 P03951 1/20 0.47
▸ CTRB1 P17538 1/20 0.47
▸ CTRL P40313 1/20 0.47
▸ CTRB2 Q6GPI1 1/20 0.47
▸ CTRC Q99895 1/20 0.47

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
SCHEMBL29905222 0.94 F2 (0.76) F2KLKB1F11CTRB1CTRL
SCHEMBL29905350 0.92 F2 (0.76) F2KLKB1F11CTRB1CTRL
SCHEMBL29905740 0.90 F2 (0.77) F2KLKB1F11CTRB1CTRL
SCHEMBL20474008 0.89 F2 (0.84) F2KLKB1
SCHEMBL29905145 0.89 F2 (0.76) F2KLKB1F11CTRB1CTRL
SCHEMBL29905144 0.88 F2 (0.73) F2KLKB1
SCHEMBL18039822 0.87 F2 (0.77) F2KLKB1F11CTRB1CTRL
SCHEMBL29905429 0.87 F2 (0.75) F2KLKB1F11CTRB1CTRL
SCHEMBL18039899 0.86 F2 (0.71) F2KLKB1F11CTRB1CTRL
SCHEMBL18039854 0.86 F2 (1.00) 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 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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