SCHEMBL7272756

SCHEMBL7272756

NCCCCCCNCCc1ccc(O)c(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 4/20 0.72
▸ DRD3 P35462 4/20 0.72
▸ SLC6A2 P23975 3/20 0.72
▸ SLC6A3 Q01959 3/20 0.72
▸ ADRB2 P07550 3/20 0.72
▸ ADRA1A P35348 2/20 0.72
▸ ADORA3 P0DMS8 1/20 0.72
▸ CHRM1 P11229 1/20 0.72
▸ ADRA2B P18089 1/20 0.72
▸ ADRA2C P18825 1/20 0.72
▸ SLC6A4 P31645 1/20 0.72
▸ PTGS2 P35354 1/20 0.72
▸ HRH1 P35367 1/20 0.72
▸ OPRK1 P41145 1/20 0.72
▸ PDE4D Q08499 1/20 0.72
▸ KCNH2 Q12809 1/20 0.72
▸ HRH3 Q9Y5N1 1/20 0.72
▸ MAPT P10636 6/20 0.58
▸ KDM4E B2RXH2 5/20 0.58
▸ ALOX15 P16050 4/20 0.58

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
SCHEMBL28615035 1.00 DRD1 (0.72) DRD1DRD3SLC6A2SLC6A3ADRB2
SCHEMBL30350890 1.00 DRD1 (0.72) DRD1DRD3SLC6A2SLC6A3ADRB2
Bromide SCHEMBL7280018 0.98 DRD1 (0.70) DRD1DRD3SLC6A2SLC6A3ADRB2
SCHEMBL38652366 0.98 DRD1 (0.69) DRD1DRD3SLC6A2SLC6A3ADRB2
Hydrochloric Acid SCHEMBL28524068 0.97 DRD1 (0.68) DRD1DRD3SLC6A2SLC6A3ADRB2
SCHEMBL17055963 0.93 DRD1 (0.67) DRD1DRD3SLC6A2SLC6A3ADRB2
SCHEMBL13068844 0.90 DRD1 (0.66) DRD1DRD3SLC6A2SLC6A3ADRB2
Dopexamine SCHEMBL5886070 0.87 DRD1 (0.86) DRD1DRD3SLC6A2SLC6A3ADRB2
SCHEMBL7270936 0.86 DRD1 (0.75) DRD1DRD3SLC6A2SLC6A3ADRB2
SCHEMBL7279998 0.85 ADRB2 (0.79) DRD1DRD3SLC6A2SLC6A3ADRB2

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
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