SCHEMBL1431933

SCHEMBL1431933

Nc1ccc(CNC(=O)N(CCc2ccc(F)c(F)c2)C(=O)[C@H]2CCCN2CC(=O)O)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 1/20 0.38
▸ TLR2 O60603 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRE P78334 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34

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
SCHEMBL3150073 0.77 MASP2 (0.40) PPIBALDH1A1KCNH2DPP4LMNA
SCHEMBL1431936 0.75 F2 (0.39) PPIBTLR2ALDH1A1KCNH2DPP4
SCHEMBL3258183 0.69 DPP4 (0.40) PPIBALDH1A1KCNH2DPP4PDPK1
SCHEMBL3154107 0.69 PPIB (0.40) PPIBALDH1A1KCNH2DPP4LMNA
SCHEMBL1431769 0.68 DPP4 (0.39) PPIBALDH1A1KCNH2DPP4LMNA
SCHEMBL1432630 0.68 DPP4 (0.39) PPIBALDH1A1KCNH2DPP4LMNA
SCHEMBL1433063 0.68 HDAC1 (0.44) KCNH2DPP4MAPTMEN1KMT2A
SCHEMBL1432780 0.68 F2 (0.42) ALDH1A1KCNH2DPP4LMNAMEN1
SCHEMBL1432209 0.68 F2 (0.42) ALDH1A1KCNH2DPP4LMNAMEN1
SCHEMBL1431525 0.67 PPIB (0.39) PPIBTLR2ALDH1A1KCNH2DPP4

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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