SCHEMBL29905182

SCHEMBL29905182

CC1CCCC(C)C1C(=O)n1nc(C2CCNCC2)cc1NCc1ccc(Cl)s1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 0.73
▸ KLKB1 P03952 4/20 0.50

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
Hydrochloric Acid SCHEMBL18039961 0.99 F2 (0.72) F2KLKB1
SCHEMBL18039743 0.87 F2 (0.75) F2KLKB1
SCHEMBL20473889 0.87 F2 (0.81) F2KLKB1
Hydrochloric Acid SCHEMBL29905299 0.86 F2 (0.74) F2KLKB1
Hydrochloric Acid SCHEMBL18039880 0.85 F2 (0.73) F2KLKB1
SCHEMBL18039873 0.84 F2 (1.00) F2KLKB1
SCHEMBL18040082 0.84 F2 (0.57) F2KLKB1
SCHEMBL18039911 0.83 F2 (0.93) F2KLKB1
SCHEMBL18039854 0.82 F2 (1.00) F2KLKB1
Hydrochloric Acid SCHEMBL18039842 0.81 F2 (0.73) 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 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 claimed
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