SCHEMBL6941665

SCHEMBL6941665

CN(C)c1ccccc1CC1CCCCC1(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.44
OPRD1 P41143 4/20 0.44
OPRK1 P41145 4/20 0.44
SLC6A2 P23975 9/20 0.41
SLC6A4 P31645 9/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC22A1 O15245 3/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
RXRA P19793 3/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
TACR1 P25103 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.35
NR4A2 P43354 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL6936956 0.90 SLC6A2 (0.49) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL7732846 0.86 OPRM1 (0.43) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6938759 0.86 SLC6A4 (0.49) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6941054 0.86 SLC6A4 (0.44) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6941381 0.86 SLC6A4 (0.44) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6937031 0.85 SLC6A4 (0.43) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6936267 0.85 OPRM1 (0.43) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6939180 0.85 SLC6A4 (0.43) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6934477 0.83 SLC6A4 (0.52) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL6937437 0.82 LMNA (0.46) OPRM1OPRD1OPRK1SLC6A2SLC6A4

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-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP claimed