SCHEMBL3352022

SCHEMBL3352022

CN(C)[C@H]1CCCC[C@H]1n1ccc2ccc(N)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GFER P55789 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.33
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
NOS3 P29474 3/20 0.31
NOS1 P29475 3/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL3352017 1.00 PRKCI (0.34) PRKCIMAPTALDH1A1GFERKDM4E
SCHEMBL13537376 1.00 PRKCI (0.34) PRKCIMAPTALDH1A1GFERKDM4E
SCHEMBL13537317 0.80 HTR1A (0.36) SIGMAR1SCN9A
SCHEMBL3358552 0.78 HTR7 (0.45) MAPTALDH1A1SIGMAR1
SCHEMBL24110302 0.77 SCD (0.37) SCN9A
SCHEMBL3354536 0.76 OPRM1 (0.36) PRKCIMAPTALDH1A1GFERKDM4E
SCHEMBL24110275 0.76 SCD (0.41) SCN9A
SCHEMBL3354541 0.76 OPRM1 (0.36) PRKCIMAPTALDH1A1GFERKDM4E
SCHEMBL3358911 0.76 OPRM1 (0.36) PRKCIMAPTALDH1A1GFERKDM4E
SCHEMBL24110299 0.74 HTR2A (0.46) MAPT

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