SCHEMBL29405455

SCHEMBL29405455

COCc1nn(Cc2ccc3c(c2)C(F)(F)CN(C)C3)cc1C(=O)NCc1c(-n2cc(C)nn2)ccc(OC)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 8/20 1.00
▸ KLKB1 P03952 14/20 0.83

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
SCHEMBL29405504 0.96 F11 (1.00) F11KLKB1
SCHEMBL29407285 0.91 F11 (0.87) F11KLKB1
SCHEMBL29407279 0.91 KLKB1 (1.00) F11KLKB1
SCHEMBL29697523 0.90 KLKB1 (0.87) F11KLKB1
SCHEMBL22982531 0.90 KLKB1 (0.87) F11KLKB1
SCHEMBL29405873 0.90 KLKB1 (1.00) F11KLKB1
SCHEMBL22981502 0.89 F11 (0.85) F11KLKB1
SCHEMBL29407281 0.89 F11 (0.85) F11KLKB1
SCHEMBL29697514 0.89 KLKB1 (0.84) F11KLKB1
SCHEMBL22993179 0.86 F11 (0.84) F11KLKB1

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
CN-114206852-A Plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2022-03-18 — — CN disclosed
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