SCHEMBL28076704

SCHEMBL28076704

COc1cccc(CC(O)CN2CCC(Cc3ccc(OC)cc3N)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
DRD4 P21917 3/20 0.53
HTR1A P08908 5/20 0.51
SLC6A4 P31645 5/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47

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
SCHEMBL28076582 0.91 CYP2D6 (0.55) GAADRD4HTR1ASLC6A4MAPT
SCHEMBL28076624 0.85 HTR1A (0.52) GAADRD4HTR1ASLC6A4MEN1
SCHEMBL28830757 0.79 TSHR (0.60) GAADRD4MEN1KMT2ACYP2D6
SCHEMBL28830809 0.79 DRD4 (0.62) GAADRD4MEN1KMT2AMAPT
SCHEMBL28076585 0.78 DRD4 (0.58) GAADRD4MEN1KMT2AMAPT
SCHEMBL28076798 0.78 HTR1A (0.55) HTR1ASLC6A4CCR3
SCHEMBL28076611 0.78 MAPT (0.48) GAADRD4HTR1ASLC6A4MEN1
SCHEMBL28076708 0.78 ADRA1A (0.49) GAADRD4HTR1ASLC6A4MEN1
SCHEMBL8733371 0.77 SLC18A3 (0.61) GAADRD4MEN1KMT2ATDP1
SCHEMBL28076620 0.75 HTR1A (0.46) GAADRD4HTR1ASLC6A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103980184-B Piperidine compounds, medical composition and its use containing this compound 爱思开生物制药株式会社 2016-08-24 CN claimed