SCHEMBL7325472

SCHEMBL7325472

c1ccc2c(c1)oc1ccc(OCCCCC3CN4CCC3CC4)cc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.49
HRH3 Q9Y5N1 8/20 0.49
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
LMNA P02545 2/20 0.45
ACSL1 P33121 2/20 0.44
ACSL6 Q9UKU0 2/20 0.44
XDH P47989 3/20 0.43
MCHR1 Q99705 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 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 SCHEMBL7331659 0.99 MAOB (0.48) MAOBHRH3BCHEACHELMNA
SCHEMBL7324169 0.93 LMNA (0.46) MAOBHRH3BCHEACHELMNA
Hydrochloric Acid SCHEMBL7321268 0.92 LMNA (0.46) MAOBHRH3BCHEACHELMNA
SCHEMBL7328816 0.86 LMNA (0.48) MAOBHRH3BCHEACHELMNA
Hydrochloric Acid SCHEMBL7320442 0.85 LMNA (0.47) MAOBHRH3BCHEACHELMNA
SCHEMBL7329366 0.77 HRH3 (0.47) HRH3
Hydrochloric Acid SCHEMBL7323588 0.76 HRH3 (0.46) HRH3
SCHEMBL905368 0.75 LSS (0.44) LMNAACSL1ACSL6NPC1MAPT
SCHEMBL7323953 0.73 HRH3 (0.48) HRH3
SCHEMBL7398784 0.72 HRH3 (0.83) MAOBHRH3BCHEACHEXDH

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