SCHEMBL11064657

SCHEMBL11064657

Cc1ccc2ccccc2c1OC1CCN(CCCC(O)c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
HRH1 P35367 4/20 0.44
LMNA P02545 3/20 0.44
DRD3 P35462 3/20 0.44
DRD2 P14416 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
BLM P54132 2/20 0.44
SLC6A2 P23975 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
CACNA1F O60840 1/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
EGFR P00533 1/20 0.44
CYP1A2 P05177 1/20 0.44
FYN P06241 1/20 0.44
CHRM2 P08172 1/20 0.44

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
SCHEMBL11065708 0.78 HTR5A (0.46) DRD3DRD2HTR2AMC4RSIGMAR1
SCHEMBL11065888 0.76 DRD2 (0.48) DRD3DRD2SLC6A4SLC6A3HTR2A
SCHEMBL11072794 0.74 KCNH2 (0.42) KCNH2HRH1LMNADRD3DRD2
SCHEMBL10766174 0.74 BCHE (0.62) KCNH2HRH1LMNADRD3DRD2
SCHEMBL12142396 0.73 BCHE (0.55) KCNH2HRH1LMNADRD3DRD2
SCHEMBL6966240 0.73 HSP90AA1 (0.36) KCNH2HRH1LMNADRD3SLC6A3
SCHEMBL21071819 0.72 CARM1 (0.57) DRD3DRD2SLC6A4SLC6A3SLC6A2
SCHEMBL19852050 0.72 CARM1 (0.57) DRD3DRD2SLC6A4SLC6A3SLC6A2
SCHEMBL19852044 0.72 CARM1 (0.57) DRD3DRD2SLC6A4SLC6A3SLC6A2
SCHEMBL11070666 0.72 SIGMAR1 (0.48) DRD3DRD2SLC6A4SLC6A3HTR2A

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
US-4443462-A Antipsychotic 4-(naphthalenyloxy)piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1984-04-17 US disclosed