SCHEMBL29905118

SCHEMBL29905118

CC(C)(C)C(=O)n1nc(C2CN(CCN3CCOCC3)CCN2)cc1NCc1ccc(Cl)s1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 17/20 0.70
▸ KLKB1 P03952 5/20 0.51
▸ F11 P03951 1/20 0.51
▸ CTRB1 P17538 1/20 0.51
▸ CTRL P40313 1/20 0.51
▸ CTRB2 Q6GPI1 1/20 0.51
▸ CTRC Q99895 1/20 0.51

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
SCHEMBL29905380 0.91 F2 (0.66) F2KLKB1F11CTRB1CTRL
SCHEMBL20473946 0.89 F2 (0.66) F2KLKB1F11CTRB1CTRL
SCHEMBL29905710 0.89 F2 (0.62) F2KLKB1F11CTRB1CTRL
SCHEMBL29905807 0.89 F2 (0.72) F2KLKB1F11CTRB1CTRL
SCHEMBL18039939 0.88 F2 (0.69) F2KLKB1F11CTRB1CTRL
SCHEMBL29905320 0.88 F2 (0.71) F2KLKB1F11CTRB1CTRL
SCHEMBL29905277 0.88 F2 (0.69) F2KLKB1F11CTRB1CTRL
SCHEMBL29905390 0.87 F2 (0.67) F2KLKB1F11CTRB1CTRL
SCHEMBL18040034 0.85 F2 (0.83) F2KLKB1F11CTRB1CTRL
SCHEMBL29905344 0.84 F2 (0.72) 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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