SCHEMBL28721684

SCHEMBL28721684

CO[C@@H]1C[C@H](C(=O)Nc2cc(C3CC3Br)ccc2F)N(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.44
▸ KLKB1 P03952 3/20 0.40
▸ GLA P06280 1/20 0.36
▸ CFD P00746 2/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ APOBEC3A P31941 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL29581125 0.88 CYP1A2 (0.46) F10KLKB1CFDLMNA
SCHEMBL31456830 0.88 CYP1A2 (0.46) F10KLKB1CFDLMNA
SCHEMBL28721687 0.82 F10 (0.44) F10KLKB1GLACFDHCRTR1
SCHEMBL27074546 0.77 KLKB1 (0.53) F10KLKB1GLACFDHCRTR1
SCHEMBL28938019 0.76 KLKB1 (0.54) F10KLKB1GLACFDHCRTR1
SCHEMBL29245879 0.75 GLA (0.40) GLA
SCHEMBL31067621 0.75 GLA (0.40) GLA
SCHEMBL4096033 0.73 F10 (0.47) F10KLKB1CFDAPOBEC3AAPOBEC3G
SCHEMBL3832110 0.72 F10 (0.60) F10
SCHEMBL3828590 0.72 F10 (0.67) F10

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-108289893-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-04-12 — — CN disclosed
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