SCHEMBL7324858

SCHEMBL7324858

c1ccc(COc2ccc(OCC3CCCCN3)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.80
POLB P06746 1/20 0.56

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 SCHEMBL7325072 0.99 LTA4H (0.78) LTA4H
SCHEMBL13808918 0.96 LTA4H (0.79) LTA4H
Hydrochloric Acid SCHEMBL4316178 0.94 LTA4H (0.77) LTA4H
Hydrochloric Acid SCHEMBL4316177 0.94 LTA4H (0.77) LTA4H
Hydrochloric Acid SCHEMBL4316175 0.93 LTA4H (0.75) LTA4H
SCHEMBL7332735 0.89 LTA4H (1.00) LTA4H
SCHEMBL13809077 0.89 LTA4H (1.00) LTA4H
SCHEMBL3166997 0.88 LTA4H (0.88) LTA4H
Hydrochloric Acid SCHEMBL4307735 0.87 LTA4H (0.97) LTA4H
Hydrochloric Acid SCHEMBL4307742 0.87 LTA4H (0.97) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674514-A1 USE OF ARYLOXYALKYL SUBSTITUTED CYCLIC AMINES AS CALCIUM CHANNEL ANTAGONISTS AND NEW PHENYLOXYALKYL PIPERIDIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP claimed
CN-1091636-A Medicine SMITHKLINE BEECHAM PLC (GB) 1994-09-07 CN claimed
WO-1994013291-A1 USE OF ARYLOXYALKYL SUBSTITUTED CYCLIC AMINES AS CALCIUM CHANNEL ANTAGONISTS AND NEW PHENYLOXYALKYL PIPERIDIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1994-06-23 WO claimed
EP-0674514-A1 USE OF ARYLOXYALKYL SUBSTITUTED CYCLIC AMINES AS CALCIUM CHANNEL ANTAGONISTS AND NEW PHENYLOXYALKYL PIPERIDIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
CN-1091636-A Medicine SMITHKLINE BEECHAM PLC (GB) 1994-09-07 CN disclosed
WO-1994013291-A1 USE OF ARYLOXYALKYL SUBSTITUTED CYCLIC AMINES AS CALCIUM CHANNEL ANTAGONISTS AND NEW PHENYLOXYALKYL PIPERIDIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1994-06-23 WO disclosed