SCHEMBL13815499

SCHEMBL13815499

CCCN1CCC(c2ccccc2OS(C)(=O)=O)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.69
DRD3 P35462 4/20 0.57
DRD1 P21728 1/20 0.57
DRD4 P21917 1/20 0.57
DRD5 P21918 1/20 0.57
SLC6A4 P31645 4/20 0.54
HTR6 P50406 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 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
SCHEMBL2782101 0.89 DRD2 (0.57) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2782570 0.89 DRD2 (0.57) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2782202 0.88 DRD2 (0.56) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2783670 0.85 DRD2 (0.53) DRD2DRD3DRD1DRD4DRD5
SCHEMBL19773023 0.82 DRD2 (1.00) DRD2DRD4SLC6A4MEN1KMT2A
SCHEMBL10180799 0.78 PTGDR2 (0.49) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2782137 0.78 HTR6 (0.48) DRD2DRD3SLC6A4HTR6MEN1
SCHEMBL2784642 0.78 DRD3 (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL27684032 0.78 DRD3 (0.43) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2783496 0.77 DRD2 (0.64) 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