SCHEMBL11023441

SCHEMBL11023441

O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CC2COc3cc(Cl)c(Cl)cc3O2)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.58
HTR1A P08908 2/20 0.58
ADRA2A P08913 2/20 0.58
DRD2 P14416 2/20 0.58
HTR2A P28223 2/20 0.58
SLC6A4 P31645 2/20 0.58
OPRM1 P35372 4/20 0.57
CHRM1 P11229 4/20 0.54
ADRA1D P25100 2/20 0.52
ADRA1A P35348 2/20 0.52
OPRK1 P41145 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM5 P08912 1/20 0.52
HTR7 P34969 1/20 0.52
ADRA1B P35368 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRL1 P41146 1/20 0.52
MEN1 O00255 1/20 0.52
SLC22A2 O15244 1/20 0.52
NR1I2 O75469 1/20 0.52

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
SCHEMBL11027738 0.94 HTR1A (0.60) DRD3HTR1AADRA2ADRD2HTR2A
SCHEMBL11025222 0.93 HTR1A (0.59) DRD3HTR1AADRA2ADRD2HTR2A
SCHEMBL11029089 0.91 OPRM1 (0.58) DRD3DRD2OPRM1CHRM1ADRA1D
Axamozide SCHEMBL11022863 0.91 OPRM1 (0.60) DRD3HTR1AADRA2ADRD2HTR2A
Axamozide SCHEMBL11027857 0.90 OPRM1 (0.59) DRD3HTR1AADRA2ADRD2HTR2A
SCHEMBL11098562 0.90 OPRM1 (0.60) DRD3HTR1AADRA2ADRD2HTR2A
SCHEMBL11097105 0.90 OPRM1 (0.66) DRD3HTR1ADRD2HTR2AOPRM1
SCHEMBL11024054 0.89 DRD2 (0.55) DRD3HTR1AADRA2ADRD2HTR2A
SCHEMBL11024904 0.89 HTR1A (0.57) DRD3HTR1AADRA2ADRD2HTR2A
SCHEMBL11024057 0.89 DRD2 (0.55) DRD3HTR1AADRA2ADRD2HTR2A

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-0068261-B1 N-OXACYCLYL-ALKYLPIPERIDINE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1985-04-03 EP disclosed
US-4470989-A Neuroleptic n-oxacyclyl-alkylpiperidine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-11 US disclosed
EP-0068261-A1 N-oxacyclyl-alkylpiperidine derivatives, their preparation, pharmaceutical preparations containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 EP disclosed