SCHEMBL1901312

SCHEMBL1901312

CC(C)(O)C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.45
▸ EHMT2 Q96KQ7 1/20 0.40
▸ MASP2 O00187 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TLR2 O60603 1/20 0.36
▸ FURIN P09958 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1904122 0.91 NAMPT (0.43) NAMPTEHMT2MASP2L3MBTL1HPGD
SCHEMBL1906806 0.91 NAMPT (0.43) NAMPTEHMT2MASP2L3MBTL1HPGD
SCHEMBL1901340 0.89 PDPK1 (0.39) NAMPTEHMT2MASP2TLR2FURIN
SCHEMBL1902789 0.86 NAMPT (0.44) NAMPTEHMT2MASP2L3MBTL1MEN1
SCHEMBL1432861 0.84 NAMPT (0.43) NAMPTEHMT2MASP2L3MBTL1HPGD
SCHEMBL1904701 0.84 NAMPT (0.45) NAMPTEHMT2MASP2L3MBTL1HPGD
SCHEMBL1431865 0.84 NAMPT (0.45) NAMPTEHMT2MASP2L3MBTL1HPGD
SCHEMBL1432011 0.84 NAMPT (0.45) NAMPTEHMT2MASP2L3MBTL1HPGD
SCHEMBL1904386 0.84 NAMPT (0.45) NAMPTEHMT2MASP2L3MBTL1MEN1
SCHEMBL1432651 0.83 NAMPT (0.46) NAMPTEHMT2MASP2L3MBTL1HPGD

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
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 — — WO claimed
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 — — WO disclosed
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