SCHEMBL3352861

SCHEMBL3352861

CC(C)CN1CCC(c2cn(C)c3ccc(N)cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
SLC6A4 P31645 2/20 0.55
RORC P51449 12/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
CCR2 P41597 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL3353204 0.90 DRD2 (0.55) DRD2SLC6A4RORCHTR1DHTR1B
SCHEMBL3355377 0.86 DRD2 (0.62) DRD2SLC6A4RORCHTR1DHTR1B
SCHEMBL3348378 0.84 DRD2 (0.49) DRD2SLC6A4RORCHTR1DHTR1B
SCHEMBL3352752 0.83 HTR1B (0.57) DRD2SLC6A4RORCHTR1DHTR1B
SCHEMBL17060397 0.80 DRD2 (0.49) DRD2SLC6A4RORCHTR1DHTR1B
SCHEMBL3351361 0.80 DRD2 (0.50) DRD2SLC6A4RORCHTR1DHTR1B
SCHEMBL17060402 0.79 DRD2 (0.48) DRD2SLC6A4RORCHTR1DHTR1B
SCHEMBL17495546 0.77 RORC (0.50) DRD2SLC6A4RORCHTR1DHTR1B
SCHEMBL3353028 0.77 RORC (0.48) DRD2SLC6A4RORCHTR1DHTR1B
SCHEMBL24188509 0.76 SLC6A4 (0.40) DRD2SLC6A4RORCHTR1DHTR1B

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