SCHEMBL9250652

SCHEMBL9250652

CCOC1(c2cccc(O)c2)CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 2/20 0.44
ALOX5 P09917 5/20 0.43
OPRD1 P41143 2/20 0.41
SLC22A1 O15245 1/20 0.40
CHRM2 P08172 1/20 0.40
ACHE P22303 1/20 0.40
CYP2D6 P10635 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
DRD3 P35462 1/20 0.38

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
SCHEMBL1599480 0.84 ALOX5 (0.54) ALOX5OPRD1
SCHEMBL9226853 0.81 OPRM1 (0.42) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL9248765 0.79 ALOX5 (0.49) ALOX5
SCHEMBL9259587 0.79 ALOX5 (0.56) OPRM1SLC6A4SLC6A2ALOX5OPRD1
SCHEMBL7532983 0.78 ACHE (0.55) OPRM1SLC6A4ALOX5OPRD1SLC22A1
SCHEMBL9222785 0.76 ALOX5 (0.40) ALOX5
SCHEMBL9136332 0.76 ALOX5 (0.54) OPRM1SLC6A4ALOX5OPRD1SLC22A1
SCHEMBL9138011 0.76 OPRD1 (0.63) OPRM1ALOX5OPRD1OPRK1
SCHEMBL9222022 0.75 ALOX5 (0.80) ALOX5
SCHEMBL3565566 0.75 OPRM1 (0.38) OPRM1ALOX5OPRD1OPRK1OPRL1

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
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed