SCHEMBL7968720

SCHEMBL7968720

c1ccc2[nH]c(C3CC4CCC(C3)N4)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
KCNH2 Q12809 1/20 0.47
SLC6A4 P31645 6/20 0.41
SLC6A3 Q01959 6/20 0.41
SLC6A2 P23975 3/20 0.41
AOC3 Q16853 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CHRNA7 P36544 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL73543 0.82 AOC3 (0.47) SLC6A4SLC6A3AOC3NPC1RAB9A
SCHEMBL12534038 0.79 AOC3 (0.41) SLC6A4SLC6A3AOC3NPC1RAB9A
SCHEMBL3640169 0.79 AOC3 (0.44) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL10441226 0.77 AOC3 (0.42) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL7973510 0.76 SLC6A3 (0.43) HTR2AKCNH2SLC6A4SLC6A3SLC6A2
SCHEMBL1237690 0.76 MAOB (0.49) HTR2AKCNH2SLC6A4SLC6A3SLC6A2
SCHEMBL29688552 0.76 MAOB (0.49) HTR2AKCNH2SLC6A4SLC6A3SLC6A2
SCHEMBL6087786 0.75 SMYD3 (0.42) SLC6A4SLC6A3AOC3NPC1RAB9A
SCHEMBL5584506 0.75 AOC3 (0.40) SLC6A4SLC6A3AOC3NPC1RAB9A
SCHEMBL7203954 0.72 HRH4 (0.53) HTR2ACHRNA7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001014374-A2 PROCESSES FOR THE PREPRATION OF EXO- AND ENDO-INDOLOTROPANES SMITHKLINE BEECHAM P.L.C. (GB) 2001-03-01 WO disclosed