SCHEMBL17219787

SCHEMBL17219787

O=[SH](=O)NCc1cccc(N2CCN(CCC3CCC4(CC3)OCCO4)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.41
DRD2 P14416 8/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 3/20 0.38
SIGMAR1 Q99720 1/20 0.37
HTR2A P28223 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
SCHEMBL3846469 0.85 HTR7 (0.45) DRD3DRD2SLC6A2SLC6A4HTR7
SCHEMBL3844664 0.82 AGXT (0.42) DRD3DRD2SLC6A2SLC6A4HTR7
SCHEMBL3844088 0.81 ADRA2C (0.45) DRD3DRD2HTR7HTR2A
SCHEMBL4496054 0.80 HTR1A (0.50) DRD3DRD2HTR7SIGMAR1HTR2A
SCHEMBL3844666 0.80 DRD2 (0.40) DRD3DRD2SLC6A2SLC6A4HTR7
SCHEMBL3848601 0.79 DRD2 (0.40) DRD3DRD2SLC6A2SLC6A4HTR7
SCHEMBL3845098 0.79 DRD2 (0.48) DRD3DRD2HTR7SIGMAR1
SCHEMBL3848690 0.79 KMO (0.50) DRD3DRD2HTR7HTR2A
SCHEMBL3849898 0.79 DRD2 (0.58) DRD3DRD2HTR7SIGMAR1HTR2A
SCHEMBL3845753 0.78 MEN1 (0.48) DRD3DRD2HTR7HTR2A

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-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed