SCHEMBL11539809

SCHEMBL11539809

COc1cccc(C23CCCCC2CN(Cc2ccccc2)CCC3)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.60
SLC6A2 P23975 2/20 0.60
SLC6A3 Q01959 2/20 0.60
SIGMAR1 Q99720 4/20 0.51
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HRH2 P25021 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM3 P20309 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
SCHEMBL11539814 1.00 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3SIGMAR1OPRM1
SCHEMBL11551237 0.97 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3SIGMAR1TMEM97
SCHEMBL11242548 0.93 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3SIGMAR1OPRM1
SCHEMBL11539155 0.87 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3SIGMAR1ALDH1A1
SCHEMBL11539150 0.87 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3SIGMAR1ALDH1A1
SCHEMBL11553404 0.86 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3SIGMAR1OPRM1
SCHEMBL11548467 0.86 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3SIGMAR1OPRM1
SCHEMBL11548463 0.86 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3SIGMAR1OPRM1
Bromide SCHEMBL11547860 0.85 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3SIGMAR1OPRM1
SCHEMBL11194100 0.85 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3SIGMAR1OPRM1

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
US-4141894-A ANALGESICS, ANTAGONISTS ELI LILLY AND COMPANY (US) 1979-02-27 US claimed
US-4141894-A ANALGESICS, ANTAGONISTS ELI LILLY AND COMPANY (US) 1979-02-27 US disclosed