SCHEMBL1431936

SCHEMBL1431936

Nc1ccc(CNC(=O)[C@@H](CNC(=O)[C@H]2CCCN2CC(=O)O)c2ccc(F)c(F)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 9/20 0.39
▸ F10 P00742 1/20 0.37
▸ MASP2 O00187 3/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PPIB P23284 1/20 0.36
▸ TLR2 O60603 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1431525 0.92 PPIB (0.39) F2F10MASP2DPP4KCNH2
SCHEMBL3150073 0.83 MASP2 (0.40) F2MASP2DPP4KCNH2PPIB
SCHEMBL1431965 0.78 EHMT2 (0.43) MASP2TLR2
SCHEMBL1432565 0.78 EHMT2 (0.45) MASP2TLR2
SCHEMBL1899812 0.77 MASP2 (0.39) MASP2TLR2
SCHEMBL1902464 0.77 MASP2 (0.39) MASP2TLR2
SCHEMBL1431933 0.75 PPIB (0.38) DPP4KCNH2PPIBTLR2ALDH1A1
SCHEMBL1432780 0.75 F2 (0.42) F2MASP2DPP4KCNH2ALDH1A1
SCHEMBL1432209 0.75 F2 (0.42) F2MASP2DPP4KCNH2ALDH1A1
SCHEMBL1907783 0.75 PDPK1 (0.38) MASP2TLR2HDAC1

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO disclosed
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