SCHEMBL20446599

SCHEMBL20446599

COC(=O)Nc1cc(CC[C@@H](C2CC2)N2C(=O)CCCC2=O)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ PARP1 P09874 13/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CHRM3 P20309 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ KLKB1 P03952 2/20 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
SCHEMBL17064730 0.88 GAA (0.35) GAAPARP1LMNATSHRCHRM3
SCHEMBL20446610 0.82 CYP4F2 (0.35) TSHR
SCHEMBL17064970 0.80 RAB9A (0.37) GAAPARP1CHRM3GLA
SCHEMBL20446520 0.79 DPP4 (0.37) GAACHRM3GLA
SCHEMBL17064821 0.79 RAB9A (0.39) GAAPARP1CHRM3GLA
SCHEMBL17064479 0.79 DPP4 (0.37) GAACHRM3GLA
SCHEMBL17064440 0.77 GAA (0.37) GAAPARP1LMNATSHRGLA
SCHEMBL17064939 0.75 KLKB1 (0.52) CHRM3KLKB1
SCHEMBL20446561 0.70 CYP4F2 (0.33) TSHR
SCHEMBL20446536 0.70 KLKB1 (0.38) GAAPARP1LMNAKLKB1

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
EP-3355890-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2018-08-08 — — EP disclosed
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