SCHEMBL3358911

SCHEMBL3358911

CN(C)[C@H]1CC[C@H](n2ccc3ccc(N)cc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
PRKCI P41743 1/20 0.35
HTR1D P28221 2/20 0.34
HTR1A P08908 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1F P30939 1/20 0.34
SCD O00767 8/20 0.34
KDM1A O60341 1/20 0.34
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
NOS2 P35228 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3354536 1.00 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3354541 1.00 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL13537315 0.80 HTR1A (0.44) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3352865 0.79 HTR1D (0.51) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3357769 0.78 NOS3 (0.44) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL12459068 0.78 KDM4C (0.39) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3351996 0.78 ASH1L (0.43) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3352705 0.78 IRAK4 (0.44) SLC6A4IRAK4ALDH1A1MAPT
SCHEMBL3353152 0.78 IRAK4 (0.44) SLC6A4IRAK4ALDH1A1MAPT
SCHEMBL3352022 0.76 PRKCI (0.34) OPRM1OPRD1OPRK1PRKCINOS3

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