SCHEMBL29407077

SCHEMBL29407077

COCc1nn(Cc2cnc3c(c2)CCN(CC(F)F)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
▸ KLKB1 P03952 14/20 1.00
▸ F11 P03951 8/20 0.84

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
SCHEMBL22981929 1.00 KLKB1 (1.00) KLKB1F11
SCHEMBL29407471 0.92 F11 (1.00) KLKB1F11
SCHEMBL29407533 0.91 KLKB1 (1.00) KLKB1F11
SCHEMBL25436707 0.87 KLKB1 (1.00) KLKB1F11
SCHEMBL22981539 0.85 F11 (1.00) KLKB1F11
SCHEMBL29407558 0.85 F11 (1.00) KLKB1F11
SCHEMBL29405409 0.85 F11 (0.90) KLKB1F11
SCHEMBL29407297 0.85 F11 (0.90) KLKB1F11
SCHEMBL22981502 0.84 F11 (0.85) KLKB1F11
SCHEMBL29407281 0.84 F11 (0.85) 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
Send feedback