SCHEMBL11221475

SCHEMBL11221475

COC(=O)C(C#N)=CN(C)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
POLB P06746 1/20 0.34
APP P05067 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TNNI3 P19429 1/20 0.30
CRHBP P24387 1/20 0.30
TNNT2 P45379 1/20 0.30

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
SCHEMBL11533144 0.88 POLB (0.34) CYP2C9POLBAPPATML3MBTL1
SCHEMBL11535963 0.80 CYP2C9 (0.35) CYP2C9POLB
SCHEMBL11527222 0.78 APP (0.37) POLBAPPATML3MBTL1ADORA2A
SCHEMBL11529185 0.76 KCNH2 (0.33) ALOX15KCNH2
SCHEMBL11526282 0.75 L3MBTL1 (0.39) POLBATML3MBTL1KMT2AMEN1
SCHEMBL13123104 0.70 CYP2C9 (0.65) CYP2C9POLBAPPL3MBTL1ADORA2A
SCHEMBL28620916 0.70 CYP2C9 (0.65) CYP2C9POLBAPPL3MBTL1ADORA2A
SCHEMBL1911789 0.70 CYP2C9 (0.65) CYP2C9POLBAPPL3MBTL1ADORA2A
SCHEMBL5929177 0.68 GAA (0.44) POLBATML3MBTL1
SCHEMBL10586344 0.65 ADH1C (0.45) ALOX15ALDH1A1

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
US-4314933-A 2,2,6,6-TETRAALKYLPIPERIDINE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1982-02-09 US disclosed
US-4140673-A REACTING 4-AMINO-PIPERIDINES WITH ENOLIC ETHERS BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed