SCHEMBL1432883

SCHEMBL1432883

CCC(C)[C@@H](NC)C(=O)N[C@@H](Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 1/20 0.40
▸ KLKB1 P03952 5/20 0.40
▸ MASP2 O00187 3/20 0.40
▸ MMP1 P03956 1/20 0.37
▸ MME P08473 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ CPA1 P15085 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ REN P00797 1/20 0.36
▸ PSMB5 P28074 1/20 0.36

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
SCHEMBL1431938 0.90 ACE (0.45) KLKB1MASP2MMEACECPA1
SCHEMBL1431636 0.89 MME (0.43) FURINKLKB1MASP2MMP1MME
SCHEMBL1431649 0.89 HTT (0.43) FURINKLKB1MASP2MMP1
SCHEMBL1432300 0.85 MASP2 (0.40) FURINKLKB1MASP2MMP1MME
SCHEMBL1432562 0.85 MME (0.43) FURINKLKB1MASP2MMP1MME
SCHEMBL1434219 0.85 KLKB1 (0.42) FURINKLKB1MASP2MMP1PSMB5
SCHEMBL1432022 0.85 MME (0.43) FURINKLKB1MASP2MMP1MME
SCHEMBL1431886 0.85 PSMB5 (0.49) FURINKLKB1MASP2MMEACE
SCHEMBL1431722 0.84 MASP2 (0.40) FURINKLKB1MASP2MMP1
Trifluoroacetic Acid SCHEMBL1432772 0.83 PSMB5 (0.43) FURINKLKB1MASP2PSMB5

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-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
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