SCHEMBL1433593

SCHEMBL1433593

C[C@H](CCC(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)C1CCCC2CCCCC21)CNC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ REN P00797 7/20 0.34
▸ PPIB P23284 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ FURIN P09958 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31

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
SCHEMBL1432038 0.92 MASP2 (0.38) MASP2CYP3A4PPIBCA1CA2
SCHEMBL1432127 0.83 CA2 (0.42) RENBACE1CA2
SCHEMBL1901982 0.82 MASP2 (0.39) MASP2PPIBFURINNAMPT
SCHEMBL1432234 0.80 MASP2 (0.42) MASP2PPIBNAMPT
SCHEMBL1432104 0.79 CYP3A4 (0.38) MASP2CYP3A4RENPPIBBACE1
SCHEMBL1431623 0.79 MASP2 (0.41) MASP2PPIBFURINNAMPT
SCHEMBL1906629 0.79 HPGD (0.39) MASP2
SCHEMBL1432321 0.77 MASP2 (0.38) MASP2PPIBNAMPT
SCHEMBL1432168 0.75 MASP2 (0.35) MASP2CYP3A4CA1CA2FURIN
SCHEMBL1901133 0.74 MASP2 (0.39) MASP2PPIBNAMPT

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-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO disclosed
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