SCHEMBL7279828

SCHEMBL7279828

Oc1cc2c(cc1O)CC(NCCCCCCNCCc1ccccc1)CC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 0.60
SIGMAR1 Q99720 3/20 0.58
ADRB2 P07550 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54
PTGS2 P35354 1/20 0.54
HRH1 P35367 1/20 0.54
DRD3 P35462 1/20 0.54
OPRK1 P41145 1/20 0.54
SLC6A3 Q01959 1/20 0.54
PDE4D Q08499 1/20 0.54
KCNH2 Q12809 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
GRIN1 Q05586 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
Bromide SCHEMBL7271985 0.99 GRIN2B (0.59) GRIN2BSIGMAR1ADRB2ADORA3CHRM1
SCHEMBL7279623 0.88 ADRA1A (0.54) GRIN2BSIGMAR1ADRB2ADORA3CHRM1
Bromide SCHEMBL7281334 0.87 ADRA1A (0.53) GRIN2BSIGMAR1ADRB2ADORA3CHRM1
SCHEMBL7272687 0.84 ADRA1A (0.58) GRIN2BSIGMAR1ADRB2ADORA3CHRM1
SCHEMBL7272848 0.84 DRD2 (0.60) GRIN2BSIGMAR1ADRA1ADRD3GRIN1
SCHEMBL7271830 0.83 DRD2 (0.52) GRIN2BSIGMAR1DRD1DRD3FYN
Bromide SCHEMBL7281378 0.83 DRD2 (0.59) GRIN2BSIGMAR1ADRA1ADRD3GRIN1
SCHEMBL7270896 0.83 ADRA1A (0.65) GRIN2BSIGMAR1ADRB2ADORA3CHRM1
Bromide SCHEMBL7270494 0.83 ADRA1A (0.57) GRIN2BSIGMAR1ADRB2ADORA3CHRM1
SCHEMBL7270986 0.83 ADRA1A (0.65) GRIN2BSIGMAR1ADRB2ADORA3CHRM1

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-0072061-A1 Amine derivatives, processes for their production and pharmaceutical compositions containing them FISONS plc (GB) 1983-02-16 EP claimed