SCHEMBL14486270

SCHEMBL14486270

CN[C@H](CC1CCCCC1)C(=O)NC[C@H](C(=O)NCc1ccc(CN)c(F)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 3/20 0.43
▸ CTSD P07339 11/20 0.41
▸ F12 P00748 1/20 0.38
▸ F2RL1 P55085 2/20 0.38
▸ KLKB1 P03952 2/20 0.38
▸ KLK1 P06870 1/20 0.37
▸ REN P00797 1/20 0.37

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
SCHEMBL14486266 0.86 KLKB1 (0.49) CPB2CTSDF12F2RL1KLKB1
SCHEMBL15901415 0.86 KLKB1 (0.49) CPB2CTSDF12F2RL1KLKB1
SCHEMBL14485435 0.78 KLKB1 (0.47) CPB2F12KLKB1KLK1
SCHEMBL14485956 0.78 KLKB1 (0.61) CPB2CTSDF2RL1KLKB1KLK1
SCHEMBL14485960 0.78 KLKB1 (0.61) CPB2CTSDF2RL1KLKB1KLK1
SCHEMBL14485893 0.76 KLKB1 (0.56) CPB2F12KLKB1KLK1REN
SCHEMBL14485782 0.74 KLKB1 (0.44) CPB2CTSDF12F2RL1KLKB1
SCHEMBL1431838 0.72 METAP2 (0.39) CPB2F12KLKB1KLK1
SCHEMBL14485621 0.67 KLKB1 (0.57) CPB2KLKB1KLK1REN
SCHEMBL14485317 0.67 KLKB1 (0.53) CPB2F12KLKB1REN

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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