SCHEMBL9340877

SCHEMBL9340877

COC(=O)C(C)(c1cccc(Cl)c1)c1nc(OC)cc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.42
▸ EDNRB P24530 9/20 0.39
▸ EDNRA P25101 9/20 0.39
▸ ADA P00813 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ P2RY1 P47900 1/20 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
SCHEMBL9341831 0.88 EDNRB (0.41) EDNRBEDNRA
SCHEMBL19125377 0.77 NPC1 (0.46) CNR2CNR1
SCHEMBL11017565 0.74 CNR2 (0.47) CNR2CNR1
SCHEMBL27359789 0.74 KCNN4 (0.46) CNR2
SCHEMBL9339964 0.74 GRM5 (0.33) EDNRBEDNRA
SCHEMBL8594264 0.73 KCNN4 (0.44) CNR2
SCHEMBL8975814 0.73 EDNRB (0.47) EDNRBEDNRA
SCHEMBL31619458 0.72 KCNN4 (0.43) CNR2
SCHEMBL28605529 0.72 PKM (0.50) CNR2
SCHEMBL8871463 0.71 EDNRB (0.51) EDNRBEDNRA

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
EP-0410590-B1 Pyrimidinyl herbicides AGREVO UK LTD (GB) 1994-06-22 — — EP claimed
US-5137564-A PYRIMIDINYL HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-11 — — US claimed
EP-0410590-B1 Pyrimidinyl herbicides AGREVO UK LTD (GB) 1994-06-22 — — EP disclosed
US-5137564-A PYRIMIDINYL HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-11 — — US disclosed
EP-0410590-A1 Pyrimidinyl herbicides AgrEvo UK Limited (GB) 1991-01-30 — — EP disclosed
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