SCHEMBL3351361

SCHEMBL3351361

Cn1cc(C2CCN(C3CC3)CC2)c2cc(N)ccc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
SLC6A4 P31645 2/20 0.50
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR1A P08908 2/20 0.46
RORC P51449 10/20 0.39
HTR6 P50406 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
SCHEMBL3352752 0.87 HTR1B (0.57) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL17060397 0.84 DRD2 (0.49) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL17060402 0.83 DRD2 (0.48) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL3355377 0.83 DRD2 (0.62) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL3348378 0.83 DRD2 (0.49) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL3353028 0.81 RORC (0.48) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL17495546 0.81 RORC (0.50) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL3352861 0.80 DRD2 (0.55) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL26630179 0.80 DRD2 (0.48) DRD2SLC6A4HTR1DHTR1BHTR1A
SCHEMBL17495381 0.79 RORC (0.48) DRD2SLC6A4RORC

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