SCHEMBL9136256

SCHEMBL9136256

Cn1c(=O)ccc2cc(COc3cccc(CC#N)c3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.57
CYP2D6 P10635 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL9080279 0.80 ALOX5 (0.55) ALOX5CYP2D6HRH3
SCHEMBL9080659 0.79 ALOX5 (0.53) ALOX5CYP2D6HRH3
SCHEMBL9080837 0.79 ALOX5 (0.52) ALOX5CYP2D6HRH3
SCHEMBL9080166 0.78 ALOX5 (0.51) ALOX5CYP2D6HRH3
SCHEMBL9138697 0.76 ALOX5 (0.77) ALOX5
SCHEMBL9080239 0.76 ALOX5 (0.51) ALOX5CYP2D6HRH3
SCHEMBL9308523 0.76 ALOX5 (0.62) ALOX5CYP2D6HRH3
SCHEMBL9080789 0.76 ALOX5 (0.49) ALOX5CYP2D6HRH3
SCHEMBL9081529 0.74 ALOX5 (0.58) ALOX5CYP2D6HRH3
SCHEMBL9209013 0.74 ALOX5 (0.81) ALOX5

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
EP-0462830-B1 Cyclic ether derivatives ZENECA LTD (GB) 1995-10-18 EP disclosed
US-5407945-A Pyran derivatives and their use as inhibitors of 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES, INC. (GB) 1995-04-18 US disclosed
US-5254581-A Used in the treatment of various inflammatory and allergic diseases IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
EP-0462830-A2 Cyclic ether derivatives ZENECA LIMITED (GB) 1991-12-27 EP disclosed