SCHEMBL1902347

SCHEMBL1902347

Nc1ccc(CNC(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](O)Cc2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 8/20 0.45
▸ MASP2 O00187 3/20 0.43
▸ FCER2 P06734 3/20 0.42
▸ MMP1 P03956 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KLK1 P06870 2/20 0.41
▸ MMP8 P22894 1/20 0.41

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
SCHEMBL1905841 0.93 KLKB1 (0.47) KLKB1MASP2FCER2MMP1KLK1
SCHEMBL1903189 0.93 ALDH1A1 (0.49) KLKB1MASP2FCER2MMP1ALDH1A1
SCHEMBL1903197 0.93 ALDH1A1 (0.49) KLKB1MASP2FCER2MMP1ALDH1A1
SCHEMBL1901817 0.90 KLKB1 (0.49) KLKB1MASP2FCER2MMP1KLK1
SCHEMBL1901814 0.90 KLKB1 (0.49) KLKB1MASP2FCER2MMP1KLK1
SCHEMBL1906052 0.87 KLKB1 (0.47) KLKB1MASP2FCER2MMP1KLK1
SCHEMBL1902345 0.87 KLKB1 (0.47) KLKB1MASP2FCER2MMP1KLK1
SCHEMBL1904566 0.87 KLKB1 (0.43) KLKB1MASP2FCER2MMP1KLK1
SCHEMBL1904884 0.86 KLKB1 (0.43) KLKB1MASP2FCER2MMP1KLK1
SCHEMBL1902781 0.86 KLKB1 (0.43) KLKB1MASP2FCER2MMP1KLK1

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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