SCHEMBL7294379

SCHEMBL7294379

Oc1cccc(CCc2c(CCNCCCCCCNCCC3CCCCC3)ccc(O)c2O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 15/20 0.42
▸ OPRM1 P35372 14/20 0.42
▸ OPRD1 P41143 12/20 0.42
▸ BCHE P06276 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ DRD3 P35462 2/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL7284530 0.88 BCHE (0.42) OPRK1BCHESIGMAR1DRD3ADRB2
SCHEMBL7285945 0.86 ADRB2 (0.51) OPRK1SIGMAR1DRD3ADRB2ADORA3
SCHEMBL7430715 0.83 OPRK1 (0.57) OPRK1SIGMAR1DRD3ADRB2ADORA3
SCHEMBL7568498 0.83 OPRK1 (0.57) OPRK1SIGMAR1DRD3ADRB2ADORA3
SCHEMBL7287462 0.83 OPRK1 (0.57) OPRK1SIGMAR1DRD3ADRB2ADORA3
SCHEMBL7287380 0.83 OPRK1 (0.57) OPRK1SIGMAR1DRD3ADRB2ADORA3
SCHEMBL7444075 0.83 OPRK1 (0.57) OPRK1SIGMAR1DRD3ADRB2ADORA3
SCHEMBL7444444 0.83 OPRK1 (0.57) OPRK1SIGMAR1DRD3ADRB2ADORA3
SCHEMBL7493484 0.83 OPRK1 (0.57) OPRK1SIGMAR1DRD3ADRB2ADORA3
SCHEMBL7283702 0.83 ADRB2 (0.45) OPRK1DRD3ADRB2ADORA3CHRM1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223598-B1 CATECHOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF FISONS plc (GB) 1991-06-12 — — EP claimed
EP-0223598-A2 Catecholamine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-05-27 — — EP claimed
EP-0223598-B1 CATECHOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF FISONS plc (GB) 1991-06-12 — — EP disclosed
US-4939147-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC. (GB) 1990-07-03 — — US disclosed
US-4922022-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC (GB) 1990-05-01 — — US disclosed
US-4883804-A Aromatic compounds FISONS PLC (GB) 1989-11-28 — — US disclosed
EP-0223598-A2 Catecholamine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-05-27 — — EP disclosed
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