SCHEMBL7270936

SCHEMBL7270936

Nc1ccc(CCNCCCCCCNCCc2ccc(O)c(O)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 5/20 0.75
▸ DRD3 P35462 5/20 0.75
▸ SLC6A2 P23975 4/20 0.75
▸ SLC6A3 Q01959 4/20 0.75
▸ ADRB2 P07550 4/20 0.75
▸ ADRA1A P35348 3/20 0.75
▸ ADORA3 P0DMS8 2/20 0.75
▸ ADRA2B P18089 2/20 0.75
▸ ADRA2C P18825 2/20 0.75
▸ SLC6A4 P31645 2/20 0.75
▸ PTGS2 P35354 2/20 0.75
▸ OPRK1 P41145 2/20 0.75
▸ KCNH2 Q12809 2/20 0.75
▸ CHRM1 P11229 1/20 0.75
▸ HRH1 P35367 1/20 0.75
▸ PDE4D Q08499 1/20 0.75
▸ HRH3 Q9Y5N1 1/20 0.75
▸ MAPT P10636 5/20 0.51
▸ ALOX15 P16050 5/20 0.51
▸ KDM4E B2RXH2 5/20 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
SCHEMBL7279998 0.87 ADRB2 (0.79) DRD1DRD3SLC6A2SLC6A3ADRB2
SCHEMBL28615035 0.86 DRD1 (0.72) DRD1DRD3SLC6A2SLC6A3ADRB2
SCHEMBL30350890 0.86 DRD1 (0.72) DRD1DRD3SLC6A2SLC6A3ADRB2
SCHEMBL7272756 0.86 DRD1 (0.72) DRD1DRD3SLC6A2SLC6A3ADRB2
SCHEMBL7278498 0.86 ADRB2 (1.00) DRD1DRD3SLC6A2SLC6A3ADRB2
Dopexamine SCHEMBL29711811 0.86 ADRB2 (1.00) DRD1DRD3SLC6A2SLC6A3ADRB2
Dopexamine SCHEMBL122233 0.86 ADRB2 (1.00) DRD1DRD3SLC6A2SLC6A3ADRB2
Dopexamine SCHEMBL5605569 0.86 ADRB2 (1.00) DRD1DRD3SLC6A2SLC6A3ADRB2
SCHEMBL7272201 0.86 ADRB2 (1.00) DRD1DRD3SLC6A2SLC6A3ADRB2
Bromide SCHEMBL7281386 0.86 ADRB2 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013760-A Phenylethylamine derivatives and pharmaceutical use FISONS PLC (GB) 1991-05-07 — — US claimed
EP-0072061-A1 Amine derivatives, processes for their production and pharmaceutical compositions containing them FISONS plc (GB) 1983-02-16 — — EP claimed
US-5013760-A Phenylethylamine derivatives and pharmaceutical use FISONS PLC (GB) 1991-05-07 — — US disclosed
EP-0072061-A1 Amine derivatives, processes for their production and pharmaceutical compositions containing them FISONS plc (GB) 1983-02-16 — — EP disclosed
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