SCHEMBL3354038

SCHEMBL3354038

COCCn1cc(CN2CCN(C)CC2)c2ccc(N)cc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
HTR6 P50406 15/20 0.45
LMNA P02545 1/20 0.43
ICMT O60725 1/20 0.40
BCL6 P41182 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 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 0.92 ACHE (0.44) NR1H2ICMT
SCHEMBL3352252 0.91 CACNB4 (0.43) ICMT
SCHEMBL3353615 0.89 HRH3 (0.41) ICMT
SCHEMBL3357970 0.84 NR1H2 (0.47) NR1H2HTR6LMNAICMT
SCHEMBL13537213 0.83 BCL6 (0.44) HTR6ICMTBCL6CYP3A4CYP2D6
SCHEMBL3351079 0.81 HTR6 (0.48) HTR6
SCHEMBL3358868 0.81 NR1H2 (0.53) NR1H2HTR6LMNACYP3A4CYP2D6
SCHEMBL3349651 0.78 HTR6 (0.41) HTR6ICMT
SCHEMBL3357817 0.76 ALDH1A1 (0.53) LMNA
SCHEMBL13537295 0.74 HDAC3 (0.42) LMNAICMTBCL6

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