SCHEMBL1906803

SCHEMBL1906803

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
FURIN P09958 1/20 0.40
MASP2 O00187 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KLKB1 P03952 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GRIA1 P42261 1/20 0.37
KLK1 P06870 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
SCHEMBL1904121 1.00 NAMPT (0.44) NAMPTCTSSCTSKFURINMASP2
SCHEMBL1901309 0.91 NAMPT (0.46) NAMPTCTSSCTSKFURINMASP2
SCHEMBL1903648 0.90 PDPK1 (0.42) NAMPTFURINMASP2KLKB1GRIA1
SCHEMBL1902369 0.90 PDPK1 (0.42) NAMPTFURINMASP2KLKB1GRIA1
SCHEMBL1902787 0.83 CTSS (0.63) NAMPTCTSSCTSK
SCHEMBL1904378 0.83 NAMPT (0.46) NAMPTCTSSCTSKFURINMASP2
SCHEMBL1432859 0.82 NAMPT (0.43) NAMPTCTSSCTSKFURINMASP2
SCHEMBL3144641 0.82 NAMPT (0.43) NAMPTCTSSCTSKFURINMASP2
SCHEMBL1904122 0.82 NAMPT (0.43) NAMPTFURINMASP2MEN1KMT2A
SCHEMBL1906806 0.82 NAMPT (0.43) NAMPTFURINMASP2MEN1KMT2A

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