SCHEMBL6587443

SCHEMBL6587443

CC(C)CCCN1CCC(c2ccccc2C(O)(C(=O)O)C2CCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.43
KCNH2 Q12809 4/20 0.43
LMNA P02545 3/20 0.43
HRH1 P35367 3/20 0.43
DRD3 P35462 3/20 0.43
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
BLM P54132 2/20 0.43
CNR1 P21554 1/20 0.43
APEX1 P27695 1/20 0.43
PDE4A P27815 1/20 0.43
PDE3A Q14432 1/20 0.43
DRD2 P14416 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM3 P20309 4/20 0.41
HTT P42858 2/20 0.41
CTSK P43235 1/20 0.40
CACNA1G O43497 1/20 0.40
KEAP1 Q14145 1/20 0.39

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
SCHEMBL6589130 0.82 CHRM3 (0.58) CHRM3HTTKEAP1NFE2L2CHRM2
SCHEMBL6589596 0.80 CHRM3 (0.42) CHRM3HTTKEAP1NFE2L2CHRM2
SCHEMBL17871674 0.78 ALDH1A1 (0.52) CHRM3KEAP1NFE2L2CHRM2CHRM1
SCHEMBL6590742 0.77 KEAP1 (0.43) OPRL1CHRM3KEAP1NFE2L2CHRM2
Bromomethane SCHEMBL19839345 0.76 ALDH1A1 (0.50) CHRM3KEAP1NFE2L2CHRM2CHRM1
SCHEMBL6587439 0.76 ALDH1A1 (0.64) KCNH2HRH1HTR2BCHRM3HTT
SCHEMBL6587556 0.76 CHRM2 (0.66) CHRM3CHRM2CHRM1
SCHEMBL6589288 0.74 GPR119 (0.49) MEN1GAAMAPTKMT2ARBP4
SCHEMBL4967978 0.74 ALDH1A1 (0.46) CHRM3KEAP1NFE2L2CHRM2CHRM1
SCHEMBL6587461 0.73 CHRM2 (0.52) CHRM3CHRM2CHRM1

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 3 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
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed