SCHEMBL7405337

SCHEMBL7405337

BrCCCCCOc1ccc2oc3ccccc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 2/20 0.56
ACSL6 Q9UKU0 2/20 0.56
LMNA P02545 2/20 0.56
MAOB P27338 8/20 0.52
HRH3 Q9Y5N1 8/20 0.52
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
XDH P47989 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PTGER4 P35408 1/20 0.45
KCNA3 P22001 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
SCHEMBL7397081 1.00 ACSL1 (0.56) ACSL1ACSL6LMNAMAOBHRH3
SCHEMBL5390554 0.94 LMNA (0.58) ACSL1ACSL6LMNAMAOBHRH3
SCHEMBL10090173 0.89 LMNA (0.60) ACSL1ACSL6LMNAMAOBHRH3
SCHEMBL7443404 0.87 ACSL1 (0.48) ACSL1ACSL6LMNAMAOBHRH3
SCHEMBL5579221 0.82 LMNA (0.62) ACSL1ACSL6LMNAMAOBHRH3
SCHEMBL16806176 0.81 LMNA (0.60) ACSL1ACSL6LMNAMAOBHRH3
SCHEMBL9870777 0.80 LMNA (0.60) ACSL1ACSL6LMNAMAOBHRH3
SCHEMBL10090415 0.80 LMNA (0.64) ACSL1ACSL6LMNAMAOBHRH3
SCHEMBL10090166 0.79 LMNA (0.61) ACSL1ACSL6LMNAMAOBHRH3
SCHEMBL11843741 0.78 ACSL1 (0.50) ACSL1ACSL6LMNAMAOBHRH3

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-0710237-A1 QUINOLIZIDINES WITH CALCIUM CHANNEL ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-05-08 EP disclosed
WO-1995003302-A1 QUINOLIZIDINES WITH CALCIUM CHANNEL ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-02-02 WO disclosed