SCHEMBL1431838

SCHEMBL1431838

Nc1ccc(CNC(=O)[C@@H](CNC(=O)[C@H](N)CC2CCCCC2)c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ CPB2 Q96IY4 6/20 0.38
▸ MASP2 O00187 1/20 0.38
▸ KCNH2 Q12809 2/20 0.37
▸ F12 P00748 1/20 0.37
▸ KLKB1 P03952 1/20 0.36
▸ KLK1 P06870 1/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ DPEP1 P16444 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ CPB1 P15086 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
SCHEMBL14485435 0.87 KLKB1 (0.47) METAP2METAP1CPB2F12KLKB1
SCHEMBL3154833 0.84 MASP2 (0.48) METAP2METAP1CPB2MASP2CPB1
SCHEMBL1431488 0.83 MALT1 (0.39) MASP2KCNH2EPHX2
SCHEMBL1431835 0.83 CPB2 (0.43) METAP2METAP1CPB2MASP2F12
SCHEMBL3144125 0.83 CPB2 (0.43) METAP2METAP1CPB2MASP2F12
SCHEMBL1431704 0.82 MASP2 (0.43) CPB2MASP2KLKB1
SCHEMBL1431986 0.81 MASP2 (0.42) MASP2KCNH2
SCHEMBL1432596 0.81 MASP2 (0.39) MASP2KCNH2EPHX2
SCHEMBL1901816 0.79 MASP2 (0.39) CPB2MASP2KCNH2SLC6A3
SCHEMBL1432473 0.78 MASP2 (0.38) CPB2MASP2KCNH2SLC6A3

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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