SCHEMBL9223149

SCHEMBL9223149

COCOC1(c2cccc(O)c2)CCOCC1O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.41
SLC6A4 P31645 8/20 0.41
SLC6A2 P23975 6/20 0.41
OPRK1 P41145 5/20 0.36
OPRD1 P41143 4/20 0.36

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
SCHEMBL9214375 0.86 OPRM1 (0.48) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL9227964 0.76 OPRM1 (0.46) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL9228922 0.76 OPRM1 (0.46) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL9224261 0.70 NPY1R (0.39) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL9218075 0.69 OPRM1 (0.49) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL9223138 0.69 ALOX5 (0.66)
SCHEMBL9250652 0.68 OPRM1 (0.44) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL1599480 0.67 ALOX5 (0.54) OPRD1
SCHEMBL9279813 0.67 ALOX5 (0.41) OPRM1SLC6A4SLC6A2
SCHEMBL22781500 0.66 OPRM1 (0.52) OPRM1SLC6A4SLC6A2OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5403859-A PHENYLENE-CYCLIC ETHER COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-04 US disclosed
EP-0375404-B1 Heterocyclic derivatives ICI PLC (GB) 1994-02-09 EP disclosed
US-5234950-A Antiallergens, antiinflammatory agents; cardiovascular disorders, antiarthritic IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed
US-5098930-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-24 US disclosed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed