SCHEMBL1907929

SCHEMBL1907929

Nc1ccc(CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](O)Cc2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.49
KLK1 P06870 4/20 0.46
FPR2 P25090 1/20 0.43
MASP2 O00187 1/20 0.42
FCER2 P06734 3/20 0.42
MMP1 P03956 2/20 0.41
NAMPT P43490 1/20 0.41
ANPEP P15144 1/20 0.41
MMP8 P22894 1/20 0.40

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
SCHEMBL1904109 0.92 NAMPT (0.44) KLKB1KLK1FPR2MASP2NAMPT
SCHEMBL1904105 0.92 NAMPT (0.44) KLKB1KLK1FPR2MASP2NAMPT
SCHEMBL1901841 0.91 CTSB (0.48) KLKB1KLK1MASP2
SCHEMBL1901838 0.91 CTSB (0.48) KLKB1KLK1MASP2
SCHEMBL1431700 0.91 KLKB1 (0.49) KLKB1KLK1FPR2MASP2FCER2
SCHEMBL3153048 0.91 KLKB1 (0.49) KLKB1KLK1FPR2MASP2FCER2
SCHEMBL1906052 0.90 KLKB1 (0.47) KLKB1KLK1MASP2FCER2MMP1
SCHEMBL1902345 0.90 KLKB1 (0.47) KLKB1KLK1MASP2FCER2MMP1
SCHEMBL3137935 0.90 KLKB1 (0.53) KLKB1KLK1FPR2MASP2FCER2
SCHEMBL3137925 0.90 KLKB1 (0.53) KLKB1KLK1FPR2MASP2FCER2

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