SCHEMBL14485707

SCHEMBL14485707

NCc1ccc(CNC(=O)[C@H](CNC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 3/20 0.67
▸ F2 P00734 2/20 0.51
▸ PROC P04070 1/20 0.51
▸ MMP1 P03956 5/20 0.51
▸ FCER2 P06734 3/20 0.51
▸ MMP2 P08253 4/20 0.45
▸ LTA4H P09960 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ BACE2 Q9Y5Z0 1/20 0.45
▸ CPB2 Q96IY4 2/20 0.44
▸ REN P00797 1/20 0.43
▸ F2RL1 P55085 2/20 0.42
▸ MMP3 P08254 2/20 0.42

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 0.89 KLKB1 (0.83) KLKB1F2PROCMMP1FCER2
SCHEMBL14485442 0.89 KLKB1 (0.83) KLKB1F2PROCMMP1FCER2
Trifluoroacetic Acid SCHEMBL15900948 0.85 KLKB1 (0.77) KLKB1F2PROCMMP1FCER2
SCHEMBL14485877 0.83 KLKB1 (0.82) KLKB1F2PROCMMP1FCER2
SCHEMBL14485873 0.83 KLKB1 (0.82) KLKB1F2PROCMMP1FCER2
SCHEMBL14485703 0.81 KLKB1 (0.62) KLKB1F2PROCMMP1FCER2
SCHEMBL14485630 0.80 KLKB1 (1.00) KLKB1MMP1FCER2
SCHEMBL14486255 0.79 KLKB1 (0.76) KLKB1MMP1FCER2MMP2
SCHEMBL15901162 0.79 KLKB1 (0.76) KLKB1MMP1FCER2MMP2
SCHEMBL14485616 0.78 KLKB1 (0.78) KLKB1MMP1FCER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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