SCHEMBL3353333

SCHEMBL3353333

CN(C)Cc1cn(C)c2cc(N)ccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.46
HTR2A P28223 3/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
GPR84 Q9NQS5 1/20 0.39
SLC6A4 P31645 1/20 0.38
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRB2 P07550 1/20 0.36
HTR1D P28221 1/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
KCNH2 Q12809 1/20 0.35
PRKCI P41743 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3353042 0.87 HTR6 (0.47) HTR6HTR2AHTR2CHTR2BGPR84
SCHEMBL27338595 0.82 HTR2A (0.45) HTR6HTR2AHTR2CHTR2BGPR84
SCHEMBL3349651 0.79 HTR6 (0.41) HTR6HTR2ASLC6A4
SCHEMBL20910199 0.78 HTR2A (0.42) HTR6HTR2AHTR2CHTR2BGPR84
SCHEMBL13537350 0.77 HTR2A (0.41) HTR6HTR2AHTR2CHTR2BGPR84
SCHEMBL9060813 0.77 HTR2A (0.43) HTR6HTR2AHTR2CHTR2BGPR84
SCHEMBL10261961 0.76 GPR84 (0.67) HTR6HTR2AHTR2CHTR2BGPR84
SCHEMBL3354155 0.75 CDK2 (0.47) HTR2AHTR2CHTR2BLMNASMN1; SMN2
Iodomethane SCHEMBL4607667 0.73 GPR84 (0.62) HTR6HTR2AHTR2CHTR2BGPR84
SCHEMBL2075509 0.73 HTR2A (0.44) HTR6HTR2AADRB2HTR1D

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