SCHEMBL31456844

SCHEMBL31456844

CC(C)(C)[S@@+]([O-])NC(CCC1CC1)(c1cccc(C#N)c1)c1ccc(F)c(NC(=O)C2CC(O)CN2C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.64
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL20446607 1.00 KLKB1 (0.64) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL31456770 0.93 KLKB1 (0.71) KLKB1
SCHEMBL21726670 0.93 KLKB1 (0.71) KLKB1
SCHEMBL21726672 0.93 KLKB1 (0.71) KLKB1
SCHEMBL20584469 0.93 KLKB1 (0.62) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL31456803 0.93 KLKB1 (0.62) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20446619 0.93 KLKB1 (0.62) KLKB1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL20584370 0.91 KLKB1 (0.63) KLKB1
SCHEMBL31456809 0.91 KLKB1 (0.63) KLKB1
SCHEMBL21726671 0.91 KLKB1 (0.72) KLKB1

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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