SCHEMBL1432381

SCHEMBL1432381

CCN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 3/20 0.39
▸ MASP2 O00187 3/20 0.38
▸ BACE1 P56817 3/20 0.36
▸ BACE2 Q9Y5Z0 1/20 0.36
▸ PSMB1 P20618 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ PSMB2 P49721 1/20 0.36
▸ CTSD P07339 3/20 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
SCHEMBL1431762 0.86 MASP2 (0.43) KLKB1MASP2BACE1BACE2PSMB1
SCHEMBL1902876 0.86 BACE1 (0.40) KLKB1MASP2BACE1BACE2PSMB1
SCHEMBL1432265 0.84 PDPK1 (0.35) MASP2BACE1
SCHEMBL3148337 0.84 KLKB1 (0.51) KLKB1MASP2PSMB1PSMB5PSMB2
SCHEMBL1432378 0.84 KLKB1 (0.51) KLKB1MASP2PSMB1PSMB5PSMB2
SCHEMBL1432369 0.83 MASP2 (0.38) MASP2BACE1
SCHEMBL1432248 0.83 NAMPT (0.41) MASP2BACE1BACE2
SCHEMBL1903992 0.81 NAMPT (0.42) MASP2
SCHEMBL1433148 0.81 MASP2 (0.39) KLKB1MASP2BACE1BACE2CTSD
SCHEMBL1432287 0.81 MASP2 (0.39) KLKB1MASP2BACE1BACE2CTSD

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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