SCHEMBL3351996

SCHEMBL3351996

Nc1ccc2ccn(C3CCOCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 1/20 0.43
DGAT1 O75907 2/20 0.41
KDM4C Q9H3R0 1/20 0.38
GRM2 Q14416 1/20 0.37
HCAR1 Q9BXC0 1/20 0.37
HTR1D P28221 2/20 0.36
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
PRKCI P41743 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1F P30939 1/20 0.34
CNR1 P21554 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
SCHEMBL2265014 0.88 DGAT1 (0.48) ASH1LDGAT1KDM4CGRM2HCAR1
SCHEMBL20784146 0.84 DGAT1 (0.38) ASH1LDGAT1HTR1DDRD2SLC6A4
SCHEMBL12459068 0.81 KDM4C (0.39) KDM4CHTR1DDRD2SLC6A4NOS3
SCHEMBL6743242 0.81 HTR7 (0.40) DGAT1KDM4CGRM2HCAR1HTR1D
SCHEMBL3352865 0.80 HTR1D (0.51) HTR1DDRD2SLC6A4NOS3NOS1
SCHEMBL3354541 0.78 OPRM1 (0.36) HTR1DDRD2SLC6A4NOS3NOS1
SCHEMBL3358911 0.78 OPRM1 (0.36) HTR1DDRD2SLC6A4NOS3NOS1
SCHEMBL3355563 0.78 OPRM1 (0.47) HTR1DDRD2SLC6A4NOS3NOS1
SCHEMBL3354536 0.78 OPRM1 (0.36) HTR1DDRD2SLC6A4NOS3NOS1
SCHEMBL29776579 0.78 DGAT1 (0.43) DGAT1KDM4CGRM2HCAR1GSK3B

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