SCHEMBL21748323

SCHEMBL21748323

COC(C)(C)C(=O)n1nc(C2CCNCC2)c(F)c1NCc1ccc(Cl)s1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 16/20 0.84
▸ KLKB1 P03952 7/20 0.84
▸ KLK1 P06870 1/20 0.39

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
SCHEMBL20506460 0.91 F2 (1.00) F2KLKB1
SCHEMBL21748345 0.90 F2 (0.83) F2KLKB1
SCHEMBL20506217 0.89 F2 (1.00) F2KLKB1
SCHEMBL21748373 0.83 F2 (0.71) F2KLKB1KLK1
SCHEMBL21748375 0.82 F2 (1.00) F2KLKB1KLK1
SCHEMBL18040010 0.81 F2 (0.82) F2KLKB1
SCHEMBL17525292 0.81 F2 (1.00) F2KLKB1
SCHEMBL21748336 0.81 F2 (0.83) F2KLKB1KLK1
SCHEMBL21748360 0.80 F2 (0.82) F2KLKB1KLK1
SCHEMBL21748350 0.80 KLKB1 (0.83) F2KLKB1KLK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970141-B1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON CORP (US) 2020-02-26 — — EP claimed
EP-3261639-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INT CORPORATION (US) 2022-08-24 — — EP disclosed
EP-2970141-B1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON CORP (US) 2020-02-26 — — EP disclosed
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