SCHEMBL3353288

SCHEMBL3353288

CN1CCC(Cn2ccc3ccc(N)cc32)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.40
HTR6 P50406 4/20 0.40
KDM1A O60341 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PRKCI P41743 1/20 0.37
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
DRD1 P21728 1/20 0.36

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
SCHEMBL3359089 0.93 HTR7 (0.43) HTR7HTR6KDM1APRKCIHTR2C
SCHEMBL31324655 0.84 HTR7 (0.46) HTR7HTR6KDM1APRKCIHTR2C
SCHEMBL13537343 0.80 HTR7 (0.38) HTR7HTR6KDM1ACYP1A2CYP2D6
SCHEMBL15712192 0.80 HTR7 (0.43) HTR7HTR6
SCHEMBL3354696 0.78 HTR7 (0.58) HTR7HTR6CYP1A2CYP2D6
SCHEMBL7808872 0.77 NR1H2 (0.44)
SCHEMBL31735705 0.74 PRKCI (0.46) HTR7PRKCI
SCHEMBL3354629 0.74 HTR6 (0.48) HTR6CYP1A2CYP2D6
SCHEMBL6300524 0.73 PRKCI (0.47) HTR7HTR6PRKCIHTR2CHTR2A
SCHEMBL13537316 0.73 HTR7 (0.41) HTR7HTR6

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