SCHEMBL3358110

SCHEMBL3358110

Cn1cc(CN2CCOCC2)c2ccc(N)cc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
LMNA P02545 3/20 0.47
GLA P06280 1/20 0.47
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
CYP2A13 Q16696 5/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 1/20 0.40
ICMT O60725 1/20 0.40
NR1H2 P55055 1/20 0.39

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
SCHEMBL3357664 0.89 HRH3 (0.47) HRH3LMNAGLAKDM4EMAPT
SCHEMBL3358868 0.86 NR1H2 (0.53) HRH3LMNAGLAALDH1A1TSHR
SCHEMBL3353653 0.86 ACHE (0.50) HRH3LMNAGLAKDM4EALDH1A1
SCHEMBL3353615 0.83 HRH3 (0.41) HRH3KDM4EMAPTCYP2A13HSD17B10
SCHEMBL13537351 0.81 HRH3 (0.55) HRH3LMNAGLAKDM4EMAPT
SCHEMBL3357652 0.79 CTSB (0.59) HRH3LMNAMAPTALDH1A1KMT2A
SCHEMBL28785242 0.79 HRH3 (0.67) HRH3LMNAGLAKDM4EMAPT
SCHEMBL3351981 0.78 ICMT (0.55) HRH3KDM4EMAPTCYP2A13HSD17B10
Potassium Ion SCHEMBL2217129 0.78 HRH3 (0.66) HRH3LMNAGLAHSD17B10CYP2C9
SCHEMBL3354205 0.77 LMNA (0.46) HRH3LMNAMAPTALDH1A1

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