SCHEMBL29407577

SCHEMBL29407577

COCc1nn(Cc2ccc3c(c2)CN(C)CC3)cc1C(=O)NCc1c(-n2cnc(C(F)F)n2)ccc(OC)c1F

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 12/20 0.91
▸ KLKB1 P03952 8/20 0.86

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
SCHEMBL29407596 0.95 F11 (1.00) F11KLKB1
SCHEMBL29697546 0.93 F11 (0.82) F11KLKB1
SCHEMBL29405507 0.93 F11 (0.82) F11KLKB1
SCHEMBL22981129 0.93 F11 (0.82) F11KLKB1
SCHEMBL30308300 0.93 KLKB1 (0.83) F11KLKB1
SCHEMBL29407320 0.92 KLKB1 (1.00) F11KLKB1
SCHEMBL29407539 0.92 KLKB1 (0.95) F11KLKB1
SCHEMBL22982608 0.92 KLKB1 (0.95) F11KLKB1
SCHEMBL29697512 0.92 F11 (1.00) F11KLKB1
SCHEMBL22981867 0.91 KLKB1 (1.00) 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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