SCHEMBL22748433

SCHEMBL22748433

CCCCCCCCCCC1CC=C(OS(=O)(=O)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.36
DRD3 P35462 8/20 0.36
DRD4 P21917 5/20 0.36
HTR1D P28221 3/20 0.35
DRD1 P21728 3/20 0.34
DRD5 P21918 3/20 0.34
HTR5A P47898 1/20 0.34

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
SCHEMBL22748394 1.00 DRD2 (0.36) DRD2DRD3DRD4HTR1DDRD1
SCHEMBL10512980 0.99 DRD2 (0.36) DRD2DRD3DRD4HTR1DDRD1
SCHEMBL10015000 0.90 DRD2 (0.38) DRD2DRD3DRD4HTR1DDRD1
SCHEMBL2178698 0.84 DRD2 (0.37) DRD2DRD3DRD4HTR1DDRD1
SCHEMBL18069445 0.80 DRD2 (0.33) DRD2DRD3DRD4HTR1DDRD1
SCHEMBL19449967 0.80 DRD2 (0.34) DRD2DRD3DRD4HTR1DDRD1
SCHEMBL25403854 0.78 SLC18A3 (0.32) DRD2DRD3HTR1D
SCHEMBL25172071 0.78 DRD2 (0.40) DRD2DRD3DRD4DRD1DRD5
SCHEMBL26146514 0.78 DRD2 (0.40) DRD2DRD3DRD4DRD1DRD5
SCHEMBL12811147 0.78 DRD2 (0.33) DRD2DRD3DRD4HTR1DDRD1

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
WO-2020245297-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO disclosed