SCHEMBL1424672

SCHEMBL1424672

CC(=O)O[C@]1(C)CC[C@@H](c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
DRD1 P21728 3/20 0.46
DRD4 P21917 3/20 0.46
DRD5 P21918 3/20 0.46
HSD11B1 P28845 1/20 0.40
CXCR2 P25025 2/20 0.38
CXCR1 P25024 1/20 0.37
ESR2 Q92731 1/20 0.35
APP P05067 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MMP3 P08254 1/20 0.33
HTR1D P28221 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL7143580 0.83 DRD2 (0.52) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3652027 0.79 DRD2 (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3652025 0.79 DRD2 (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22444698 0.78 DRD2 (0.57) DRD2DRD3DRD1DRD4DRD5
SCHEMBL8380290 0.77 DRD2 (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL27986362 0.76 DRD2 (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3128608 0.75 DRD2 (0.61) DRD2DRD3DRD1DRD4DRD5
SCHEMBL13195944 0.75 DRD2 (0.43) DRD2DRD3DRD1DRD4DRD5
SCHEMBL16969287 0.74 DRD3 (0.45) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9957718 0.74 DRD2 (0.60) 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
EP-2185567-B1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS PFIZER PROD INC (US) 2011-03-23 EP disclosed