SCHEMBL7327587

SCHEMBL7327587

c1ccc(Cc2ccc(OCC3CCCNC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.65
SLC6A2 P23975 3/20 0.53
SLC6A4 P31645 3/20 0.53
SLC6A3 Q01959 1/20 0.53
HRH1 P35367 1/20 0.50
MAP2K1 Q02750 1/20 0.49
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
EED O75530 1/20 0.47
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
KIT P10721 1/20 0.45

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 SCHEMBL7325730 0.99 LTA4H (0.64) LTA4HSLC6A2SLC6A4SLC6A3HRH1
SCHEMBL14577922 0.94 LTA4H (0.56) LTA4HSLC6A2SLC6A4SLC6A3MAP2K1
SCHEMBL27996160 0.92 LTA4H (0.68) LTA4HSLC6A2SLC6A4SLC6A3HRH1
SCHEMBL27722812 0.92 LTA4H (0.68) LTA4HSLC6A2SLC6A4SLC6A3HRH1
SCHEMBL27722831 0.92 LTA4H (0.68) LTA4HSLC6A2SLC6A4SLC6A3HRH1
SCHEMBL7327361 0.89 SLC6A2 (0.53) LTA4HSLC6A2SLC6A4SLC6A3MAP2K1
SCHEMBL2267290 0.88 SLC6A2 (0.57) LTA4HSLC6A2SLC6A4SLC6A3MAP2K1
SCHEMBL3444195 0.88 SLC6A2 (0.57) LTA4HSLC6A2SLC6A4SLC6A3MAP2K1
Hydrochloric Acid SCHEMBL7328352 0.88 SLC6A2 (0.52) LTA4HSLC6A2SLC6A4SLC6A3MAP2K1
Hydrochloric Acid SCHEMBL9555741 0.87 SLC6A2 (0.56) LTA4HSLC6A2SLC6A4SLC6A3MAP2K1

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