SCHEMBL16004607

SCHEMBL16004607

CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCC(c3noc4ccc(F)cc34)CC2)CC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.80
DRD3 P35462 20/20 0.80

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
SCHEMBL607475 1.00 HTR2A (0.80) HTR2ADRD3
SCHEMBL607399 0.93 HTR2A (0.80) HTR2ADRD3
SCHEMBL30855321 0.93 HTR2A (0.80) HTR2ADRD3
SCHEMBL4198893 0.90 HTR2A (0.72) HTR2ADRD3
SCHEMBL605287 0.90 HTR2A (0.72) HTR2ADRD3
SCHEMBL15859506 0.89 HTR2A (1.00) HTR2ADRD3
SCHEMBL4203864 0.89 HTR2A (1.00) HTR2ADRD3
SCHEMBL10164205 0.88 HTR2A (0.62) HTR2ADRD3
SCHEMBL1967397 0.87 DRD3 (0.60) HTR2ADRD3
SCHEMBL1967395 0.87 DRD3 (0.60) HTR2ADRD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829029-B2 Dual modulators of 5HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2014-09-09 US disclosed