SCHEMBL24676414

SCHEMBL24676414

Cc1ccc(C(SCCNCCCc2ccccc2)c2ccc(F)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.90
DRD2 P14416 2/20 0.90
DRD4 P21917 2/20 0.90
DRD3 P35462 2/20 0.90
KCNH2 Q12809 2/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SIGMAR1 Q99720 2/20 0.47

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
SCHEMBL7437721 0.95 SLC6A3 (1.00) SLC6A3DRD2DRD4DRD3KCNH2
SCHEMBL16011858 0.85 DRD2 (0.81) SLC6A3DRD2DRD4DRD3KCNH2
SCHEMBL16012062 0.82 SLC6A3 (0.76) SLC6A3DRD2DRD4DRD3KCNH2
SCHEMBL16011800 0.82 DRD2 (0.76) SLC6A3DRD2DRD4DRD3KCNH2
SCHEMBL16011798 0.72 DRD2 (0.62) SLC6A3DRD2DRD4DRD3
SCHEMBL16026371 0.72 SLC6A3 (0.57) SLC6A3DRD2DRD4DRD3SLC6A4
SCHEMBL14625327 0.72 SIGMAR1 (0.79) SLC6A3DRD2DRD4DRD3KCNH2
SCHEMBL9973129 0.72 SIGMAR1 (0.75) SLC6A3DRD2DRD4DRD3KCNH2
SCHEMBL9973186 0.72 SIGMAR1 (0.75) DRD2DRD4DRD3SIGMAR1
SCHEMBL17339770 0.72 KCNH2 (0.67) SLC6A3DRD2DRD4DRD3KCNH2

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-2964611-B1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF US HEALTH (US) 2022-10-19 EP disclosed