SCHEMBL3355563

SCHEMBL3355563

Nc1ccc2ccn(C3CCN(C4CCCC4)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.47
OPRD1 P41143 4/20 0.47
OPRK1 P41145 4/20 0.47
OPRL1 P41146 4/20 0.47
NOS3 P29474 3/20 0.42
NOS1 P29475 3/20 0.42
NOS2 P35228 1/20 0.41
HTR7 P34969 6/20 0.39
OGFRL1 Q5TC84 2/20 0.39
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABCB1 P08183 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37

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
SCHEMBL12253683 0.83 NOS3 (0.55) OPRM1OPRD1OPRK1OPRL1NOS3
SCHEMBL3352865 0.82 HTR1D (0.51) OPRM1OPRD1OPRK1OPRL1NOS3
SCHEMBL13537242 0.81 NOS3 (0.45) OPRM1OPRD1OPRK1OPRL1NOS3
SCHEMBL3355691 0.79 DRD2 (0.52) OPRM1OPRD1OPRK1OPRL1NOS3
SCHEMBL3357163 0.79 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1NOS3
SCHEMBL3355266 0.78 NOS3 (0.45) NOS3NOS1NOS2HTR7DRD2
SCHEMBL12459068 0.78 KDM4C (0.39) OPRM1OPRD1OPRK1OPRL1NOS3
SCHEMBL3351996 0.78 ASH1L (0.43) OPRM1OPRD1OPRK1OPRL1NOS3
SCHEMBL3357757 0.78 NPC1 (0.47) OPRM1OPRD1OPRK1OPRL1NOS3
SCHEMBL3358885 0.77 DRD2 (0.67) NOS3NOS1NOS2HTR7DRD2

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed