SCHEMBL3351880

SCHEMBL3351880

CN1CCN(CCCn2ccc3ccc(N)cc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 15/20 0.55
P2RX7 Q99572 2/20 0.48
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL7808717 0.83 SIGMAR1 (0.61) HTR7P2RX7NOS3NOS1SIGMAR1
SCHEMBL13537275 0.80 HTR7 (0.52) HTR7P2RX7NOS3NOS1
SCHEMBL31461321 0.80 HTR7 (0.64) HTR7NOS3NOS1
SCHEMBL1122373 0.80 HTR7 (0.57) HTR7NOS3NOS1
SCHEMBL27812843 0.79 CDK4 (0.44)
SCHEMBL12253689 0.78 HTR7 (0.56) HTR7NOS3NOS1
SCHEMBL7805927 0.78 HTR7 (0.50) HTR7P2RX7
SCHEMBL3356709 0.78 HTR7 (0.79) HTR7P2RX7
SCHEMBL429679 0.77 NOS3 (0.48) HTR7NOS3NOS1
Hydrochloric Acid SCHEMBL8021825 0.77 HTR7 (0.49) HTR7P2RX7

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