SCHEMBL11024403

SCHEMBL11024403

COc1cccc([C@]23CCCCC2N(C)CC(C)O3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.52
SLC6A2 P23975 9/20 0.52
SLC6A3 Q01959 2/20 0.52
OPRM1 P35372 4/20 0.42
SLC22A1 O15245 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRND Q07001 1/20 0.41
OPRL1 P41146 1/20 0.40

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
SCHEMBL11193044 1.00 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL11024795 1.00 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL10966539 1.00 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL11351044 1.00 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL10966310 1.00 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL10968227 0.97 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
Oxalic Acid SCHEMBL10965391 0.94 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
Oxalic Acid SCHEMBL10965384 0.94 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL11051769 0.86 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL10965845 0.86 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1

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
EP-0061899-B1 MORPHOLINES JOHN WYETH & BROTHER LIMITED (GB) 1985-03-20 EP disclosed