SCHEMBL7330776

SCHEMBL7330776

c1ccc(Cc2ccc(OCCC3CN4CCC3CC4)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.53
HRH3 Q9Y5N1 1/20 0.48

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
Hydrochloric Acid SCHEMBL7330684 0.99 LTA4H (0.52) LTA4HHRH3
SCHEMBL7330957 0.92 LTA4H (0.50) LTA4H
Hydrochloric Acid SCHEMBL7430573 0.91 LTA4H (0.49) LTA4H
SCHEMBL7329701 0.90 LTA4H (0.50) LTA4HHRH3
Hydrochloric Acid SCHEMBL7320238 0.88 LTA4H (0.49) LTA4H
SCHEMBL7321121 0.86 LTA4H (0.48) LTA4HHRH3
SCHEMBL7324506 0.86 LTA4H (0.49) LTA4HHRH3
Hydrochloric Acid SCHEMBL7330696 0.85 LTA4H (0.47) LTA4HHRH3
Hydrochloric Acid SCHEMBL7329408 0.85 LTA4H (0.48) LTA4H
SCHEMBL7331678 0.81 ALDH1A1 (0.46) LTA4HHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625979-A1 AZABRICYCLIC COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-11-30 EP claimed
WO-1993015073-A1 AZABRICYCLIC COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO claimed