SCHEMBL14485630

SCHEMBL14485630

COC(=O)CN[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 1.00
▸ MMP1 P03956 2/20 0.56
▸ FCER2 P06734 2/20 0.56
▸ KLK1 P06870 3/20 0.49

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
SCHEMBL21669886 0.91 KLKB1 (0.83) KLKB1MMP1FCER2KLK1
SCHEMBL14485442 0.91 KLKB1 (0.83) KLKB1MMP1FCER2KLK1
SCHEMBL14485877 0.90 KLKB1 (0.82) KLKB1MMP1FCER2KLK1
SCHEMBL14485873 0.90 KLKB1 (0.82) KLKB1MMP1FCER2KLK1
SCHEMBL15900904 0.88 KLKB1 (0.78) KLKB1MMP1FCER2KLK1
SCHEMBL14485616 0.88 KLKB1 (0.78) KLKB1MMP1FCER2KLK1
SCHEMBL14485892 0.87 KLKB1 (0.77) KLKB1MMP1FCER2KLK1
SCHEMBL15901046 0.87 KLKB1 (0.77) KLKB1MMP1FCER2KLK1
Trifluoroacetic Acid SCHEMBL15900948 0.87 KLKB1 (0.77) KLKB1MMP1FCER2KLK1
SCHEMBL14486255 0.86 KLKB1 (0.76) KLKB1MMP1FCER2KLK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729443-B3 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2020-02-12 — — EP disclosed
EP-2729443-B1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2015-11-25 — — EP disclosed
EP-2729443-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2014-05-14 — — EP disclosed
WO-2013005045-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2013-01-10 — — WO disclosed
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