SCHEMBL9667151

SCHEMBL9667151

N#CCCC(C#N)(c1ccccc1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
MEN1 O00255 3/20 0.38
CYP2D6 P10635 4/20 0.38
CHRM2 P08172 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38
KCNH2 Q12809 3/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
HRH1 P35367 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL9665195 0.98 CCR1 (0.48) CCR1KEAP1NFE2L2MEN1CYP2D6
SCHEMBL13123944 0.83 CCR1 (0.48) CCR1KEAP1NFE2L2MEN1CYP2D6
SCHEMBL5751962 0.80 CCR1 (0.46) CCR1KEAP1NFE2L2MEN1CYP2D6
SCHEMBL5754340 0.77 KEAP1 (0.47) CCR1KEAP1NFE2L2MEN1CYP2D6
SCHEMBL10391435 0.77 CHRM2 (0.59) KEAP1NFE2L2MEN1CYP2D6CHRM2
SCHEMBL7359773 0.75 CCR1 (0.47) CCR1MEN1CYP2D6CHRM2CHRM1
SCHEMBL8073914 0.74 CCR1 (0.45) CCR1KEAP1NFE2L2MEN1CYP2D6
SCHEMBL7362602 0.74 MEN1 (0.40) CCR1KEAP1NFE2L2MEN1CYP2D6
SCHEMBL8073924 0.74 CCR1 (0.46) CCR1MEN1CYP2D6CHRM2CHRM1
SCHEMBL9667120 0.74 MEN1 (0.42) MEN1HRH1KCNA3

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-0258617-B1 3,3-DISUBSTITUTED-PIPERIDINE-2,6-DIONE DERIVATIVES MADAUS Aktiengesellschaft (DE) 1992-03-18 EP disclosed
EP-0258617-A1 3,3-Disubstituted-piperidine-2,6-dione derivatives MADAUS Aktiengesellschaft (DE) 1988-03-09 EP disclosed