SCHEMBL11093124

SCHEMBL11093124

O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CC2COc3c(Cl)cccc3O2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.58
CHRM1 P11229 4/20 0.55
DRD3 P35462 3/20 0.55
HTR1A P08908 2/20 0.55
ADRA2A P08913 2/20 0.55
DRD2 P14416 2/20 0.55
HTR2A P28223 2/20 0.55
SLC6A4 P31645 2/20 0.55
PLD2 O14939 1/20 0.51
PLD1 Q13393 1/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
OPRK1 P41145 2/20 0.51
MEN1 O00255 1/20 0.51
SLC22A2 O15244 1/20 0.51
NR1I2 O75469 1/20 0.51
GMNN O75496 1/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL11026849 0.92 CHRM1 (0.57) OPRM1CHRM1DRD3HTR1AADRA2A
SCHEMBL11098879 0.90 OPRM1 (0.58) OPRM1CHRM1DRD3HTR1ADRD2
SCHEMBL11103882 0.89 OPRM1 (0.47) OPRM1CHRM1DRD3HTR1ADRD2
Axamozide SCHEMBL11022863 0.89 OPRM1 (0.60) OPRM1CHRM1DRD3HTR1AADRA2A
Axamozide SCHEMBL11027857 0.88 OPRM1 (0.59) OPRM1CHRM1DRD3HTR1AADRA2A
SCHEMBL11023441 0.87 DRD3 (0.58) OPRM1CHRM1DRD3HTR1AADRA2A
SCHEMBL11096897 0.87 HTR1A (0.56) OPRM1CHRM1DRD3HTR1AADRA2A
SCHEMBL11025222 0.86 HTR1A (0.59) OPRM1CHRM1DRD3HTR1AADRA2A
SCHEMBL11101914 0.85 OPRM1 (0.53) OPRM1CHRM1DRD3HTR1AADRA2A
SCHEMBL11098935 0.85 HTR1A (0.60) OPRM1CHRM1DRD3HTR1AADRA2A

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-4470989-A Neuroleptic n-oxacyclyl-alkylpiperidine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-11 US disclosed