SCHEMBL17268029

SCHEMBL17268029

CCC(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(CN)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 17/20 0.55
▸ KLK1 P06870 5/20 0.47
▸ PSMB5 P28074 1/20 0.43

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
SCHEMBL17268030 1.00 KLKB1 (0.55) KLKB1KLK1PSMB5
SCHEMBL14485575 0.89 KLKB1 (0.56) KLKB1KLK1PSMB5
SCHEMBL15901579 0.89 KLKB1 (0.56) KLKB1KLK1PSMB5
SCHEMBL14485384 0.85 KLKB1 (0.74) KLKB1KLK1
SCHEMBL14485377 0.85 KLKB1 (0.74) KLKB1KLK1
SCHEMBL15901128 0.81 KLKB1 (0.69) KLKB1KLK1
SCHEMBL14485573 0.81 KLKB1 (0.58) KLKB1KLK1
SCHEMBL15901058 0.81 KLKB1 (0.58) KLKB1KLK1
SCHEMBL15901801 0.77 KLKB1 (0.77) KLKB1KLK1
SCHEMBL15901410 0.76 KLKB1 (0.87) KLKB1KLK1

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-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
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