SCHEMBL3353028

SCHEMBL3353028

CC(=O)N1CCC(c2cn(C)c3ccc(N)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 16/20 0.48
DRD2 P14416 1/20 0.47
SLC6A4 P31645 1/20 0.47
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CREBBP Q92793 1/20 0.43
QDPR P09417 1/20 0.42
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41

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
SCHEMBL17495546 0.90 RORC (0.50) RORCDRD2SLC6A4HTR1DHTR1B
SCHEMBL17495380 0.86 RORC (0.64) RORC
SCHEMBL17495381 0.85 RORC (0.48) RORCDRD2SLC6A4
Hydrochloric Acid SCHEMBL17495540 0.85 RORC (0.63) RORC
SCHEMBL3352752 0.84 HTR1B (0.57) RORCDRD2SLC6A4HTR1DHTR1B
SCHEMBL17495399 0.84 SCN9A (0.57) RORCDRD2SLC6A4KDM4EALDH1A1
SCHEMBL5937364 0.82 ALDH1A1 (0.57) RORCKDM4EBRD4ALDH1A1POLB
SCHEMBL17060397 0.81 DRD2 (0.49) RORCDRD2SLC6A4KDM4EALDH1A1
SCHEMBL3351361 0.81 DRD2 (0.50) RORCDRD2SLC6A4HTR1DHTR1B
SCHEMBL17495523 0.80 SCN9A (0.53) RORCKDM4E

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