SCHEMBL16478129

SCHEMBL16478129

COCCCn1c(=O)oc2ccc(-c3ccc(C(C#N)CNC(=O)N(C(=O)O)C4CCCC4)cc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSC P53634 13/20 0.52
KCNH2 Q12809 1/20 0.38
ASAH1 Q13510 1/20 0.36
TSPO P30536 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL16478097 0.87 CTSC (0.48) CTSCKCNH2
SCHEMBL3653385 0.78 CTSC (0.55) CTSCKCNH2
SCHEMBL16478127 0.78 CTSC (0.49) CTSCKCNH2TSPO
SCHEMBL290463 0.78 CTSC (0.49) CTSCKCNH2ASAH1MAPT
SCHEMBL16478115 0.77 CTSC (0.49) CTSCKCNH2ASAH1
SCHEMBL3656287 0.76 CTSC (0.48) CTSCKCNH2LMNANPSR1
SCHEMBL290107 0.73 CTSC (0.49) CTSCKCNH2TSPO
SCHEMBL16478103 0.72 CTSC (0.41) CTSCNPSR1
SCHEMBL3687606 0.71 CTSC (0.72) CTSCKCNH2
SCHEMBL16478221 0.71 CTSC (0.38) CTSCKCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011154677-A1 SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL] 1-AMINOCYCLOALK-1-YLCARBOXAMIDE COMPOUNDS - 760 ASTRAZENECA AB (SE) 2011-12-15 WO disclosed