SCHEMBL1432125

SCHEMBL1432125

CCC(C)C(NC(=O)OC(C)(C)C)C(=O)N(CC[C@H]1CCCC2CCCC[C@@H]21)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.37
▸ REN P00797 14/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ CTSD P07339 1/20 0.35
▸ CTSE P14091 1/20 0.35
▸ PPIB P23284 1/20 0.33
▸ MASP2 O00187 2/20 0.33

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
SCHEMBL1432123 1.00 CA2 (0.37) CA2RENBACE1CTSDCTSE
SCHEMBL1432100 0.84 CA2 (0.39) CA2RENBACE1CTSDCTSE
SCHEMBL3141449 0.83 REN (0.43) CA2RENCTSDCTSE
SCHEMBL3141433 0.83 REN (0.43) CA2RENCTSDCTSE
SCHEMBL3141428 0.83 REN (0.43) CA2RENCTSDCTSE
SCHEMBL3141442 0.83 REN (0.43) CA2RENCTSDCTSE
SCHEMBL1432163 0.79 CA2 (0.40) CA2BACE1MASP2
SCHEMBL1432165 0.79 CA2 (0.40) CA2BACE1MASP2
SCHEMBL1432127 0.79 CA2 (0.42) CA2RENBACE1CTSDCTSE
SCHEMBL3145539 0.78 CTSS (0.41) RENMASP2

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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