SCHEMBL6608869

SCHEMBL6608869

Fc1ccc(OCCC2CCCCN2)cc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.68
CHEK2 O96017 1/20 0.47

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
SCHEMBL7448818 0.96 LTA4H (0.75) LTA4HCHEK2
SCHEMBL11447699 0.95 LTA4H (0.61) LTA4H
Hydrochloric Acid SCHEMBL7494733 0.94 LTA4H (0.73) LTA4HCHEK2
SCHEMBL7443334 0.93 LTA4H (0.60) LTA4HCHEK2
Hydrochloric Acid SCHEMBL7494004 0.92 LTA4H (0.59) LTA4H
SCHEMBL7445359 0.90 LTA4H (0.56) LTA4HCHEK2
SCHEMBL7445314 0.90 LTA4H (0.56) LTA4HCHEK2
Hydrochloric Acid SCHEMBL7435059 0.89 LTA4H (0.55) LTA4HCHEK2
SCHEMBL6600614 0.85 NFE2L2 (0.60) LTA4HCHEK2
SCHEMBL11447913 0.85 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435955-A2 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SmithKline Beecham P.L.C. (GB) 2004-07-14 EP disclosed
WO-2002089800-A2 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 WO disclosed
US-4225608-A ANTIDEPRESSANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-09-30 US disclosed