SCHEMBL3351612

SCHEMBL3351612

Nc1ccc2cnn(C3CCN(C4CCCC4)CC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 3/20 0.40
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
HTR1A P08908 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PIK3CD O00329 6/20 0.38
SCD O00767 3/20 0.38
OPRL1 P41146 2/20 0.37
PDE9A O76083 1/20 0.36
MEN1 O00255 1/20 0.36
RGS12 O14924 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL30778591 0.92 KDM4E (0.43) HTR1AHTR1BHTR1FKMT2AKDM4E
SCHEMBL3358324 0.89 KDM4E (0.41) OGFRL1OPRM1OPRD1OPRK1KMT2A
SCHEMBL3369338 0.85 PIK3CD (0.43) HTR1AHTR1BHTR1FKDM4EALDH1A1
SCHEMBL3349663 0.83 HTR1B (0.54) HTR1AHTR1BHTR1FPIK3CDSCD
SCHEMBL13537393 0.82 KMT2A (0.42) OGFRL1OPRM1OPRD1OPRK1HTR1A
SCHEMBL3352822 0.80 HTR1A (0.41) HTR1AHTR1BHTR1FPIK3CDSCD
SCHEMBL3351511 0.80 HTR1A (0.41) HTR1AHTR1BHTR1FKDM4EMAPT
SCHEMBL1863636 0.79 HTR1A (0.45) HTR1AHTR1BHTR1FPIK3CDSCD
SCHEMBL25240863 0.79 PIK3CD (0.55) PIK3CD
SCHEMBL1869336 0.79 MEN1 (0.49) HTR1AHTR1BHTR1FKMT2AALDH1A1

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