SCHEMBL13815500

SCHEMBL13815500

CCCN1CCC(c2ccc(OS(C)(=O)=O)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.68
DRD3 P35462 3/20 0.56
DRD1 P21728 1/20 0.56
DRD4 P21917 1/20 0.56
DRD5 P21918 1/20 0.56
SIGMAR1 Q99720 1/20 0.55
SLC6A4 P31645 1/20 0.53

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
SCHEMBL3453568 0.84 DRD2 (0.77) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4828691 0.81 DRD2 (0.71) DRD2DRD3SIGMAR1SLC6A4
SCHEMBL25316484 0.80 HTT (0.43) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4819648 0.77 DRD2 (0.67) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10179977 0.77 ENPP3 (0.51) DRD2DRD3DRD1DRD4DRD5
SCHEMBL25564212 0.76 DRD2 (0.89) DRD2DRD3DRD1DRD4DRD5
SCHEMBL13815499 0.76 DRD2 (0.69) DRD2DRD3DRD1DRD4DRD5
SCHEMBL8351025 0.76 DRD2 (0.75) DRD2SIGMAR1SLC6A4
SCHEMBL9608741 0.76 ENPP3 (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL31223124 0.74 DRD2 (0.73) DRD2DRD3DRD1DRD4DRD5

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-8314126-B2 Disubstituted phenylpiperdines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-11-20 US claimed