SCHEMBL7858106

SCHEMBL7858106

COCCCn1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4CCCCN4C(=O)OC(C)(C)C)cc3)cc21

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.64
▸ KCNH2 Q12809 1/20 0.49

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
SCHEMBL2075394 0.96 CTSC (0.63) CTSCKCNH2
SCHEMBL2075395 0.96 CTSC (0.63) CTSCKCNH2
SCHEMBL2074471 0.89 CTSC (0.61) CTSCKCNH2
SCHEMBL2074469 0.89 CTSC (0.61) CTSCKCNH2
SCHEMBL7859717 0.89 CTSC (0.50) CTSCKCNH2
SCHEMBL2074633 0.87 CTSC (0.67) CTSCKCNH2
SCHEMBL2074846 0.85 CTSC (0.48) CTSCKCNH2
SCHEMBL2074847 0.85 CTSC (0.48) CTSCKCNH2
SCHEMBL15083918 0.84 CTSC (0.64) CTSCKCNH2
SCHEMBL16622342 0.83 CTSC (0.69) 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-2010142985-A1 SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL]PIPERIDIN-2-YLCARBOXMIDE COMPOUNDS 761 ASTRAZENECA AB (SE) 2010-12-16 — — WO disclosed
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