SCHEMBL9220205

SCHEMBL9220205

COC1(c2cncc(O)c2)CCOC1C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.30
SLC6A4 P31645 3/20 0.30
OPRM1 P35372 3/20 0.30

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
SCHEMBL9218075 0.79 OPRM1 (0.49) SLC6A2SLC6A4OPRM1
SCHEMBL9046586 0.78 CA12 (0.32) SLC6A2SLC6A4OPRM1
SCHEMBL9048013 0.72 CHRNA1 (0.33) SLC6A2
SCHEMBL9255545 0.71 ALOX5 (0.40)
SCHEMBL9224569 0.70 ALOX5 (0.48)
SCHEMBL9049169 0.68
SCHEMBL9047910 0.68
SCHEMBL9049077 0.67
SCHEMBL9049749 0.66
SCHEMBL9048738 0.65 ALOX5 (0.31)

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