SCHEMBL1901309

SCHEMBL1901309

CC(C)(O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
FURIN P09958 1/20 0.42
MASP2 O00187 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KLKB1 P03952 1/20 0.40
GRIA1 P42261 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL1904121 0.91 NAMPT (0.44) NAMPTCTSSCTSKFURINMASP2
SCHEMBL1906803 0.91 NAMPT (0.44) NAMPTCTSSCTSKFURINMASP2
SCHEMBL1901338 0.89 PDPK1 (0.43) NAMPTFURINMASP2KLKB1GRIA1
SCHEMBL1902787 0.86 CTSS (0.63) NAMPTCTSSCTSK
SCHEMBL3144641 0.84 NAMPT (0.43) NAMPTCTSSCTSKFURINMASP2
SCHEMBL1432859 0.84 NAMPT (0.43) NAMPTCTSSCTSKFURINMASP2
SCHEMBL1904378 0.83 NAMPT (0.46) NAMPTCTSSCTSKFURINMASP2
SCHEMBL1432007 0.83 NAMPT (0.46) NAMPTCTSSCTSKFURINMASP2
SCHEMBL1904034 0.83 NAMPT (0.46) NAMPTCTSSCTSKFURINMASP2
SCHEMBL1431860 0.83 NAMPT (0.46) NAMPTCTSSCTSKFURINMASP2

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