SCHEMBL1901982

SCHEMBL1901982

CC(C)CC(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)C1CCCC2CCCCC21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.39
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PPIB P23284 1/20 0.34
▸ TLR2 O60603 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ CPB1 P15086 2/20 0.33
▸ F2 P00734 2/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ CPB2 Q96IY4 1/20 0.32
▸ NAMPT P43490 2/20 0.32
▸ FURIN P09958 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31

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
SCHEMBL1432234 0.89 MASP2 (0.42) MASP2PPIBTLR2F10CPB1
SCHEMBL1431623 0.88 MASP2 (0.41) MASP2PPIBTLR2F10CPB1
SCHEMBL1432321 0.85 MASP2 (0.38) MASP2PPIBTLR2SMN1; SMN2F10
SCHEMBL1432038 0.84 MASP2 (0.38) MASP2PPIBTLR2F10NAMPT
SCHEMBL1906629 0.84 HPGD (0.39) MASP2HPGDALDH1A1F2PRSS1
SCHEMBL1433593 0.82 MASP2 (0.35) MASP2PPIBNAMPTFURIN
SCHEMBL1901133 0.82 MASP2 (0.39) MASP2PPIBALDH1A1F10CPB1
SCHEMBL1432698 0.81 DPP4 (0.38) MASP2CPB1CPB2
SCHEMBL1432135 0.81 MASP2 (0.39) MASP2PPIBALDH1A1F10CPB1
SCHEMBL1907759 0.80 PSMB10 (0.41) MASP2TLR2ALDH1A1CPB2FURIN

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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