SCHEMBL7329366

SCHEMBL7329366

c1ccc(Oc2ccc(OCCCCC3CN4CCC3CC4)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
LTA4H P09960 4/20 0.47
DPP4 P27487 2/20 0.43
KCNA3 P22001 1/20 0.42
PLA2G2A P14555 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CACNA1B Q00975 1/20 0.41

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 SCHEMBL7323588 0.99 HRH3 (0.46) HRH3LTA4HDPP4KCNA3PLA2G2A
SCHEMBL7323953 0.96 HRH3 (0.48) HRH3LTA4HDPP4PLA2G2ACACNA1B
Hydrochloric Acid SCHEMBL7329990 0.95 HRH3 (0.47) HRH3LTA4HDPP4PLA2G2ACACNA1B
SCHEMBL7321121 0.92 LTA4H (0.48) HRH3LTA4HPLA2G2A
Hydrochloric Acid SCHEMBL7330696 0.91 LTA4H (0.47) HRH3LTA4HPLA2G2A
SCHEMBL7328652 0.83 LTA4H (0.46) HRH3LTA4H
Hydrochloric Acid SCHEMBL7322738 0.82 LTA4H (0.45) HRH3LTA4H
SCHEMBL7330957 0.79 LTA4H (0.50) LTA4H
SCHEMBL7330776 0.79 LTA4H (0.53) HRH3LTA4H
SCHEMBL7329701 0.79 LTA4H (0.50) HRH3LTA4HKDM4E

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