SCHEMBL3356705

SCHEMBL3356705

CN1CCN(CCc2cn(C)c3ccc(N)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.47
ADRB2 P07550 1/20 0.47
HTR6 P50406 5/20 0.44
HTR2A P28223 1/20 0.43
NR1H2 P55055 1/20 0.43
LMNA P02545 2/20 0.42
MPO P05164 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HTR1B P28222 1/20 0.37
GLA P06280 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RAD52 P43351 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
SCHEMBL3355548 0.90 HTR1D (0.48) HTR1DADRB2HTR6HTR2ASIGMAR1
SCHEMBL3355352 0.89 ADRB2 (0.47) HTR1DADRB2HTR6HTR2ASIGMAR1
SCHEMBL3352639 0.87 NR1H2 (0.53) ADRB2HTR6NR1H2LMNACYP2D6
SCHEMBL3354205 0.86 LMNA (0.46) HTR1DADRB2HTR6HTR2ALMNA
SCHEMBL3320875 0.81 HTR1D (0.68) HTR1DADRB2HTR6HTR2AHTT
SCHEMBL13537326 0.80 HTR6 (0.44) HTR1DADRB2HTR6MPOCYP1A2
SCHEMBL12850610 0.80 HTR2A (0.59) HTR6HTR2ALMNATSHRHTT
SCHEMBL2075509 0.79 HTR2A (0.44) HTR1DADRB2HTR6HTR2ASIGMAR1
SCHEMBL3351522 0.78 HTR6 (0.51) HTR6LMNACYP2D6
SCHEMBL3353571 0.77 ACHE (0.51) HTR1DADRB2NR1H2LMNATSHR

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