SCHEMBL3349651

SCHEMBL3349651

COCCn1cc(CN(C)C)c2ccc(N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.41
ICMT O60725 2/20 0.37
DYRK1A Q13627 2/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
REN P00797 2/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
NFATC1 O95644 1/20 0.34
GSK3B P49841 1/20 0.34
ASH1L Q9NR48 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3352610 0.79 F2RL3 (0.39) PRKACAPRKACGPRKACBRENASH1L
SCHEMBL3353333 0.79 HTR6 (0.46) HTR6HTR2ASLC6A4
SCHEMBL3351825 0.79 ACHE (0.44) ICMTHDAC3HDAC1HDAC2HDAC10
SCHEMBL3351946 0.78 DYRK1A (0.38) DYRK1ARENNFATC1GSK3BASH1L
SCHEMBL3352252 0.78 CACNB4 (0.43) ICMTHDAC3HDAC1HDAC2HDAC10
SCHEMBL3354038 0.78 NR1H2 (0.46) HTR6ICMT
SCHEMBL3353615 0.77 HRH3 (0.41) ICMTCNR1CNR2
SCHEMBL3353042 0.70 HTR6 (0.47) HTR6ICMTHTR2ASLC6A4
SCHEMBL31735441 0.70 DYRK1A (0.43) DYRK1ANFATC1GSK3BNPSR1CNR1
Hydrochloric Acid SCHEMBL19896294 0.69 ALDH1A1 (0.44) CNR2

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 1 patent. 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