SCHEMBL7328816

SCHEMBL7328816

c1ccc2c(c1)oc1ccc(OCC3CN4CCC3CC4)cc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
MAOB P27338 8/20 0.43
HRH3 Q9Y5N1 8/20 0.43
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PTGER4 P35408 1/20 0.40
ACSL1 P33121 1/20 0.40
ACSL6 Q9UKU0 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MCHR1 Q99705 1/20 0.39

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 SCHEMBL7320442 0.99 LMNA (0.47) LMNAMAPTNPC1MAOBHRH3
SCHEMBL7324169 0.88 LMNA (0.46) LMNAMAPTNPC1MAOBHRH3
Hydrochloric Acid SCHEMBL7321268 0.87 LMNA (0.46) LMNAMAPTNPC1MAOBHRH3
SCHEMBL7325472 0.86 MAOB (0.49) LMNAMAPTNPC1MAOBHRH3
Hydrochloric Acid SCHEMBL7331659 0.85 MAOB (0.48) LMNAMAOBHRH3BCHEACHE
SCHEMBL905368 0.79 LSS (0.44) LMNAMAPTNPC1ACSL1ACSL6
SCHEMBL3221853 0.77 CHRNB4 (0.46) MAPTNPSR1CHRM2CHRM1CHRM3
SCHEMBL3221856 0.77 CHRNB4 (0.46) MAPTNPSR1CHRM2CHRM1CHRM3
SCHEMBL3221893 0.77 CHRNB4 (0.46) MAPTNPSR1CHRM2CHRM1CHRM3
SCHEMBL7328652 0.75 LTA4H (0.46) MAPTHRH3NPSR1CHRM2CHRM1

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