SCHEMBL3355377

SCHEMBL3355377

CCN1CCC(c2cn(C)c3ccc(N)cc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.62
SLC6A4 P31645 6/20 0.62
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HBB P68871 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.38
RAD52 P43351 2/20 0.38
GFER P55789 2/20 0.38
RORC P51449 4/20 0.38
CCR2 P41597 1/20 0.38

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
SCHEMBL3352752 0.86 HTR1B (0.57) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL3352861 0.86 DRD2 (0.55) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL17060397 0.83 DRD2 (0.49) DRD2SLC6A4HTR1DHTR1BMAPT
SCHEMBL3351361 0.83 DRD2 (0.50) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL17060402 0.82 DRD2 (0.48) DRD2SLC6A4HTR1DHTR1BMAPT
SCHEMBL3348378 0.82 DRD2 (0.49) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL17495546 0.80 RORC (0.50) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL3353028 0.80 RORC (0.48) DRD2SLC6A4HTR1DHTR1BKDM4E
SCHEMBL26630179 0.78 DRD2 (0.48) DRD2SLC6A4HTR1DHTR1BKMT2A
SCHEMBL3353204 0.76 DRD2 (0.55) DRD2SLC6A4HTR1DHTR1BRORC

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