SCHEMBL14735678

SCHEMBL14735678

O=C(N[C@H]1CC[C@H](CCN2CCN(c3noc4cc(Cl)c(Cl)cc34)CC2)CC1)OC1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.53
DRD2 P14416 10/20 0.53
HTR1A P08908 2/20 0.53
DRD3 P35462 16/20 0.48

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
SCHEMBL14735696 0.90 HTR2A (0.59) HTR2ADRD2HTR1ADRD3
SCHEMBL1966050 0.87 DRD3 (0.63) HTR2ADRD2HTR1ADRD3
SCHEMBL1966047 0.87 DRD3 (0.63) HTR2ADRD2HTR1ADRD3
SCHEMBL13448229 0.87 DRD3 (0.63) HTR2ADRD2HTR1ADRD3
SCHEMBL3454089 0.87 HTR2A (0.63) HTR2ADRD2DRD3
SCHEMBL1969062 0.87 HTR2A (0.63) HTR2ADRD2DRD3
SCHEMBL11904453 0.82 HTR2A (0.51) HTR2ADRD2HTR1ADRD3
SCHEMBL1969067 0.82 HTR2A (0.58) HTR2ADRD2HTR1ADRD3
SCHEMBL3454316 0.82 HTR2A (0.58) HTR2ADRD2HTR1ADRD3
SCHEMBL3453560 0.81 HTR2A (0.65) HTR2ADRD2DRD3

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
EP-2334657-B1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP claimed