SCHEMBL3357664

SCHEMBL3357664

Cn1cc(CN2CCOCC2)c2cc(N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
LMNA P02545 3/20 0.47
GLA P06280 1/20 0.47
ICMT O60725 2/20 0.45
CYP2A13 Q16696 5/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
ADRB2 P07550 1/20 0.40
HTR1D P28221 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
SCHEMBL3358110 0.89 HRH3 (0.55) HRH3LMNAGLAICMTCYP2A13
SCHEMBL3354205 0.88 LMNA (0.46) HRH3LMNAMAPTALDH1A1ADRB2
SCHEMBL3353571 0.87 ACHE (0.51) LMNAGLAICMTALDH1A1TSHR
SCHEMBL3352639 0.86 NR1H2 (0.53) LMNAGLAICMTALDH1A1TSHR
SCHEMBL3350921 0.86 ACHE (0.50) LMNAGLAICMTALDH1A1TSHR
SCHEMBL3351981 0.86 ICMT (0.55) HRH3ICMTCYP2A13CYP2C9ALOX15
SCHEMBL29215987 0.84 HRH3 (0.47) HRH3LMNAGLAICMTCYP2A13
SCHEMBL3358883 0.79 CTSB (0.59) HRH3LMNAMAPTALDH1A1
SCHEMBL13537253 0.79 HRH3 (0.48) HRH3LMNAGLAICMTCYP2A13
SCHEMBL3353615 0.75 HRH3 (0.41) HRH3ICMTCYP2A13CYP2C9ALOX15

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