SCHEMBL11298951

SCHEMBL11298951

COc1cc(OC)cc(C2CCCN(C)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
HTR2A P28223 2/20 0.48
DRD3 P35462 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
LSS P48449 2/20 0.43
ALDH1A1 P00352 2/20 0.41
GCK P35557 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM2B Q8NHM5 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
SCHEMBL7352591 0.84 DRD2 (0.71) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL13416032 0.84 DRD2 (0.71) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL13416035 0.83 ALDH1A1 (0.53) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL11297975 0.81 DRD2 (0.76) DRD2DRD3KDM2B
SCHEMBL11263083 0.81 DRD2 (0.59) DRD2HTR2ADRD3KDM2B
SCHEMBL21341950 0.80 HTR2A (0.48) DRD2HTR2ADRD3KCNH2ALDH1A1
SCHEMBL20789976 0.78 ALDH1A1 (0.50) DRD2ALDH1A1
SCHEMBL17514730 0.78 ALDH1A1 (0.50) DRD2ALDH1A1LMNA
SCHEMBL15649846 0.77 DRD2 (0.55) DRD2HTR2ADRD3KCNH2KDM2B
SCHEMBL7723674 0.76 ALDH1A1 (0.48) DRD2ALDH1A1LMNA

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
EP-0062018-A1 Novel phenyl-piperidines Aktiebolaget Hässle (SE) 1982-10-06 EP disclosed