SCHEMBL11458068

SCHEMBL11458068

FC(F)(F)Sc1ccc(OCCC2CCCCN2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.49
PTPRZ1 P23471 1/20 0.44
CHEK2 O96017 1/20 0.42
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL11448956 0.96 PTPRZ1 (0.46) LTA4HPTPRZ1CHEK2
SCHEMBL11448940 0.85 CHRNB4 (0.43) LTA4HCHEK2
SCHEMBL11447921 0.83 LTA4H (0.47) LTA4HCHEK2
SCHEMBL7116280 0.83 LTA4H (0.70) LTA4HCHEK2
Hydrochloric Acid SCHEMBL4321733 0.82 LTA4H (0.51) LTA4HCHEK2NFE2L2
SCHEMBL11448286 0.81 CHRNB4 (0.46)
SCHEMBL6608869 0.81 LTA4H (0.68) LTA4HCHEK2
SCHEMBL11455868 0.79 LTA4H (0.64) LTA4H
SCHEMBL11447738 0.79 LTA4H (0.45) LTA4HCHEK2
SCHEMBL2185418 0.78 LTA4H (0.50) LTA4HCHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4225608-A ANTIDEPRESSANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-09-30 US disclosed