SCHEMBL31456770

SCHEMBL31456770

CC(C)(C)[S@@+]([O-])NC(CCC1CC1)(c1cccc(C#N)c1)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 14/20 0.71
▸ F10 P00742 1/20 0.40
▸ CFD P00746 3/20 0.35
▸ GRIN2B Q13224 1/20 0.34

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
SCHEMBL21726672 1.00 KLKB1 (0.71) KLKB1F10CFDGRIN2B
SCHEMBL21726670 1.00 KLKB1 (0.71) KLKB1F10CFDGRIN2B
SCHEMBL21726671 0.96 KLKB1 (0.72) KLKB1F10CFDGRIN2B
SCHEMBL31456835 0.96 KLKB1 (0.72) KLKB1F10CFDGRIN2B
SCHEMBL24012064 0.95 KLKB1 (0.71) KLKB1F10CFD
SCHEMBL22654263 0.95 KLKB1 (0.79) KLKB1F10
SCHEMBL21726688 0.95 KLKB1 (0.79) KLKB1F10
SCHEMBL21726662 0.95 KLKB1 (0.71) KLKB1F10CFD
SCHEMBL21726615 0.95 KLKB1 (0.79) KLKB1F10
SCHEMBL21726663 0.95 KLKB1 (0.71) KLKB1F10CFD

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-114591212-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2025-01-28 — — CN disclosed
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