SCHEMBL6589615

SCHEMBL6589615

C#CC(O)(c1ccccc1)C1CCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
CHRM2 P08172 9/20 0.47
CHRM3 P20309 9/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
HRH1 P35367 1/20 0.41
SCN1A P35498 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41

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
SCHEMBL4889259 0.96 KEAP1 (0.51) KEAP1NFE2L2CHRM2CHRM3MAPT
SCHEMBL9193099 0.95 MAPT (0.52) KEAP1NFE2L2CHRM2CHRM3MAPT
SCHEMBL609929 0.92 MEN1 (0.43) KEAP1NFE2L2CHRM2CHRM3MAPT
SCHEMBL552275 0.78 MEN1 (0.36) KEAP1NFE2L2CHRM2CHRM3MAPT
SCHEMBL2062914 0.78 KEAP1 (0.56) KEAP1NFE2L2CHRM2CHRM3MAPT
SCHEMBL2062409 0.78 KEAP1 (0.56) KEAP1NFE2L2CHRM2CHRM3MAPT
SCHEMBL27700604 0.76 KEAP1 (0.54) KEAP1NFE2L2CHRM2CHRM3MAPT
SCHEMBL27821813 0.76 KEAP1 (0.54) KEAP1NFE2L2CHRM2CHRM3MAPT
SCHEMBL12531908 0.76 MAPT (0.52) KEAP1NFE2L2CHRM2CHRM3MAPT
SCHEMBL198459 0.76 MAPT (0.52) KEAP1NFE2L2CHRM2CHRM3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
EP-0486734-A1 1-Aryl-1-hydroxy-1-substituted-3-(4-substituted-1-piperazinyl)-2-propanones and their use in treatment of neurogenic bladder disorders MARION MERRELL DOW INC. (US) 1992-05-27 EP disclosed
US-5001160-A 1-aryl-1-hydroxy-1-substituted-3-(4-substituted-1-piperazinyl)-2-propanones and their use in treatment of neurogenic bladder disorders MARION LABORATORIES, INC. (US) 1991-03-19 US disclosed