SCHEMBL1432206

SCHEMBL1432206

CCC(C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.51
▸ KLKB1 P03952 9/20 0.49
▸ MMP8 P22894 2/20 0.47
▸ MME P08473 2/20 0.46
▸ ACE P12821 2/20 0.46
▸ CPA1 P15085 2/20 0.46
▸ ACE2 Q9BYF1 2/20 0.46
▸ MMP1 P03956 2/20 0.45
▸ FCER2 P06734 2/20 0.45
▸ KLK1 P06870 2/20 0.44
▸ MMP9 P14780 1/20 0.44

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
SCHEMBL1431962 0.92 ACE (0.47) MASP2KLKB1MMEACECPA1
SCHEMBL1432331 0.91 MASP2 (0.44) MASP2KLKB1KLK1
SCHEMBL1432584 0.91 MME (0.44) MASP2KLKB1MMEACECPA1
SCHEMBL1432156 0.90 MASP2 (0.45) MASP2KLKB1
SCHEMBL1432540 0.89 MASP2 (0.43) MASP2KLKB1KLK1
SCHEMBL1431493 0.89 MASP2 (0.46) MASP2KLKB1MMEACECPA1
SCHEMBL1431833 0.88 MASP2 (0.45) MASP2KLKB1KLK1
SCHEMBL1431873 0.87 MASP2 (0.42) MASP2KLKB1MMEACECPA1
SCHEMBL1431845 0.87 MME (0.51) MASP2KLKB1MMP8MMEACE
SCHEMBL1431687 0.87 MME (0.44) MASP2KLKB1MMEACECPA1

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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