SCHEMBL1901410

SCHEMBL1901410

Nc1ccc(CNC(=O)C(CNC(=O)[C@H](O)Cc2ccccc2)c2cccc3ccccc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.41
F2 P00734 4/20 0.40
F3 P13726 3/20 0.40
PRSS1 P07477 3/20 0.40
F10 P00742 3/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
NAMPT P43490 2/20 0.39
HDAC1 Q13547 2/20 0.38
ACP3 P15309 1/20 0.37
CPB2 Q96IY4 1/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
EGFR P00533 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
SCHEMBL1901851 0.90 MASP2 (0.41) MASP2F2PRSS1BACE1NAMPT
SCHEMBL1902783 0.88 MASP2 (0.41) MASP2F2F3PRSS1F10
SCHEMBL1905450 0.86 MASP2 (0.43) MASP2BACE1NAMPTHDAC1METAP2
SCHEMBL1908318 0.85 F3 (0.40) F2F3PRSS1F10PRSS2
SCHEMBL1908104 0.85 MASP2 (0.40) MASP2F2F3PRSS1F10
SCHEMBL1901038 0.85 MASP2 (0.44) MASP2BACE1NAMPTHDAC1CPB2
SCHEMBL1904567 0.84 MASP2 (0.40) MASP2F2F3PRSS1F10
SCHEMBL1431844 0.84 MASP2 (0.45) MASP2BACE1NAMPTHDAC1METAP2
SCHEMBL1904477 0.83 MASP2 (0.42) MASP2F2PRSS1NAMPTHDAC1
SCHEMBL1907648 0.82 BACE1 (0.44) MASP2F2PRSS1F10BACE1

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 disclosed