SCHEMBL6589129

SCHEMBL6589129

CC(C)=CCCN1CCC(OC(=O)C(O)(c2ccccc2)C2CCC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.66
CHRM3 P20309 8/20 0.66
CHRM1 P11229 7/20 0.66
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
HRH1 P35367 1/20 0.50
HTR2B P41595 1/20 0.50
KCNH2 Q12809 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL5126666 0.92 ALDH1A1 (0.67) CHRM2CHRM3CHRM1ALDH1A1CYP1A2
SCHEMBL6589592 0.85 ALDH1A1 (0.57) CHRM2CHRM3CHRM1ALDH1A1CYP1A2
SCHEMBL7649694 0.82 ALDH1A1 (0.82) CHRM2CHRM3CHRM1ALDH1A1CYP1A2
SCHEMBL6587439 0.82 ALDH1A1 (0.64) CHRM2CHRM3CHRM1ALDH1A1CYP1A2
SCHEMBL6588733 0.82 CHRM2 (0.96) CHRM2CHRM3CHRM1
SCHEMBL6586888 0.82 CHRM2 (0.96) CHRM2CHRM3CHRM1
SCHEMBL4298699 0.80 ALDH1A1 (0.86) CHRM2CHRM3CHRM1ALDH1A1CYP1A2
SCHEMBL28075363 0.80 ALDH1A1 (0.59) CHRM2CHRM3CHRM1ALDH1A1CYP1A2
SCHEMBL508756 0.80 CHRM2 (1.00) CHRM2CHRM3CHRM1
SCHEMBL508757 0.80 CHRM2 (1.00) CHRM2CHRM3CHRM1

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 7 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 claimed
CN-1188471-A 1,4-disubstituted piepridine derivatives BANYU PHARMA CO LTD (JP) 1998-07-22 CN claimed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP claimed
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
CN-1188471-A 1,4-disubstituted piepridine derivatives BANYU PHARMA CO LTD (JP) 1998-07-22 CN 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