SCHEMBL1432127

SCHEMBL1432127

CC[C@@H](C)C(NC(=O)OC(C)(C)C)C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)C1CCCC2CCCCC21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.42
▸ REN P00797 15/20 0.41
▸ CTSD P07339 1/20 0.40
▸ CTSE P14091 1/20 0.40
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL1432038 0.89 MASP2 (0.38) CA2
SCHEMBL3141449 0.84 REN (0.43) CA2RENCTSDCTSE
SCHEMBL3141428 0.84 REN (0.43) CA2RENCTSDCTSE
SCHEMBL3141442 0.84 REN (0.43) CA2RENCTSDCTSE
SCHEMBL3141433 0.84 REN (0.43) CA2RENCTSDCTSE
SCHEMBL1433593 0.83 MASP2 (0.35) CA2RENBACE1
SCHEMBL1432234 0.82 MASP2 (0.42) —
SCHEMBL3153410 0.81 REN (0.48) CA2RENCTSDCTSECTSS
SCHEMBL3153397 0.81 REN (0.48) CA2RENCTSDCTSECTSS
SCHEMBL3153401 0.81 REN (0.48) CA2RENCTSDCTSECTSS

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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