SCHEMBL29407549

SCHEMBL29407549

COCc1nn(Cc2ccc3c(c2)CNCC3(C)C)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
▸ KLKB1 P03952 16/20 1.00
▸ F11 P03951 6/20 0.74

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
SCHEMBL22981159 1.00 KLKB1 (1.00) KLKB1F11
SCHEMBL29407343 0.93 KLKB1 (0.87) KLKB1F11
SCHEMBL22982176 0.92 KLKB1 (1.00) KLKB1F11
SCHEMBL29407375 0.92 KLKB1 (1.00) KLKB1F11
Hydrochloric Acid SCHEMBL29407594 0.91 KLKB1 (0.99) KLKB1F11
Hydrochloric Acid SCHEMBL22981758 0.91 KLKB1 (0.99) KLKB1F11
SCHEMBL29407279 0.89 KLKB1 (1.00) KLKB1F11
SCHEMBL26227507 0.87 KLKB1 (0.84) KLKB1F11
SCHEMBL29407285 0.86 F11 (0.87) KLKB1F11
SCHEMBL22981632 0.85 KLKB1 (1.00) KLKB1F11

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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