SCHEMBL21669892

SCHEMBL21669892

NCc1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)C(N)CC2CCCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 9/20 0.72
▸ MMP1 P03956 3/20 0.64
▸ FCER2 P06734 3/20 0.64
▸ MME P08473 1/20 0.52
▸ ACE P12821 1/20 0.52
▸ CPA1 P15085 1/20 0.52
▸ ACE2 Q9BYF1 1/20 0.52
▸ BACE1 P56817 1/20 0.50
▸ BACE2 Q9Y5Z0 1/20 0.50
▸ TACR2 P21452 1/20 0.49
▸ CPB2 Q96IY4 1/20 0.48
▸ REN P00797 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ METAP2 P50579 1/20 0.48
▸ METAP1 P53582 1/20 0.48

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
SCHEMBL14485921 1.00 KLKB1 (0.72) KLKB1MMP1FCER2MMEACE
SCHEMBL17268025 1.00 KLKB1 (0.72) KLKB1MMP1FCER2MMEACE
SCHEMBL15901046 0.89 KLKB1 (0.77) KLKB1MMP1FCER2
SCHEMBL14485892 0.89 KLKB1 (0.77) KLKB1MMP1FCER2
SCHEMBL21669886 0.87 KLKB1 (0.83) KLKB1MMP1FCER2MMEACE
SCHEMBL21669883 0.87 KLKB1 (0.72) KLKB1MMP1FCER2
SCHEMBL14485287 0.87 KLKB1 (0.72) KLKB1MMP1FCER2
SCHEMBL21669870 0.87 KLKB1 (0.69) KLKB1MMP1FCER2MMEACE
SCHEMBL15901681 0.87 KLKB1 (0.69) KLKB1MMP1FCER2MMEACE
SCHEMBL14485442 0.87 KLKB1 (0.83) KLKB1MMP1FCER2MMEACE

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-2729443-B3 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2020-02-12 — — EP disclosed
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