SCHEMBL3353615

SCHEMBL3353615

COCCn1cc(CN2CCOCC2)c2ccc(N)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
ICMT O60725 2/20 0.41
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
CNR2 P34972 3/20 0.39
CNR1 P21554 2/20 0.39
CYP2A13 Q16696 1/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SSTR5 P35346 1/20 0.37
ATM Q13315 1/20 0.37
HIF1A Q16665 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
SCHEMBL3351825 0.91 ACHE (0.44) ICMTMTNR1BSSTR5
SCHEMBL3354038 0.89 NR1H2 (0.46) ICMT
SCHEMBL3352252 0.89 CACNB4 (0.43) ICMTMTNR1BKDM4E
SCHEMBL13537524 0.83 HRH3 (0.41) HRH3ICMTMTNR1BKDM4ECNR2
SCHEMBL3358110 0.83 HRH3 (0.55) HRH3ICMTKDM4EMAPTCYP2A13
SCHEMBL3353183 0.81 CTSB (0.53) HRH3MTNR1BMAPTCNR2CNR1
SCHEMBL3351981 0.77 ICMT (0.55) HRH3ICMTKDM4EMAPTCNR2
SCHEMBL3349651 0.77 HTR6 (0.41) ICMTCNR2CNR1
SCHEMBL3357970 0.76 NR1H2 (0.47) ICMTKDM4E
SCHEMBL3357664 0.75 HRH3 (0.47) HRH3ICMTKDM4EMAPTCYP2A13

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