SCHEMBL1904884

SCHEMBL1904884

Nc1ccc(CNC(=O)[C@H](Cc2ccccc2F)NC(=O)C(O)Cc2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 7/20 0.43
▸ MASP2 O00187 3/20 0.43
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ F2RL1 P55085 1/20 0.40
▸ MMP1 P03956 3/20 0.40
▸ FCER2 P06734 3/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ KLK1 P06870 1/20 0.39
▸ MMP8 P22894 1/20 0.39

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
SCHEMBL1902781 1.00 KLKB1 (0.43) KLKB1MASP2CTSSCTSKF2RL1
SCHEMBL1904566 0.91 KLKB1 (0.43) KLKB1MASP2F2RL1MMP1FCER2
SCHEMBL1903189 0.89 ALDH1A1 (0.49) KLKB1MASP2MMP1FCER2NAMPT
SCHEMBL1903197 0.89 ALDH1A1 (0.49) KLKB1MASP2MMP1FCER2NAMPT
SCHEMBL1906002 0.89 KLKB1 (0.43) KLKB1MASP2MMP1FCER2NAMPT
SCHEMBL1906005 0.89 KLKB1 (0.43) KLKB1MASP2MMP1FCER2NAMPT
SCHEMBL1901814 0.88 KLKB1 (0.49) KLKB1MASP2MMP1FCER2NAMPT
SCHEMBL1901817 0.88 KLKB1 (0.49) KLKB1MASP2MMP1FCER2NAMPT
SCHEMBL1902347 0.86 KLKB1 (0.45) KLKB1MASP2MMP1FCER2KLK1
SCHEMBL1905841 0.86 KLKB1 (0.47) KLKB1MASP2CTSSCTSKMMP1

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