SCHEMBL15911342

SCHEMBL15911342

CO[C@@H]1CCC[C@@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5sccc45)CC3)CC2)C1

nearest known ligand 0.93

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.93
HTR2A P28223 20/20 0.93
DRD3 P35462 20/20 0.93

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
SCHEMBL15911341 1.00 DRD2 (0.93) DRD2HTR2ADRD3
SCHEMBL15911344 1.00 DRD2 (0.93) DRD2HTR2ADRD3
SCHEMBL1698510 0.96 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698909 0.96 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698908 0.96 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL15385232 0.96 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL14875125 0.96 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698491 0.91 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698489 0.91 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698325 0.86 DRD2 (1.00) DRD2HTR2ADRD3

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-2582705-B1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-08-06 EP claimed