SCHEMBL1906194

SCHEMBL1906194

CCN1CCc2ccc(I)cc2CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.54
DRD1 P21728 2/20 0.54
HRH3 Q9Y5N1 3/20 0.48
PNMT P11086 2/20 0.42
KCNH2 Q12809 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SETD7 Q8WTS6 1/20 0.39
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL8055291 0.80 DRD1 (0.50) DRD2DRD1HRH3PNMTADRA2A
SCHEMBL7645219 0.79 DRD2 (0.55) DRD2DRD1HRH3PNMTKCNH2
SCHEMBL1905997 0.78 DRD2 (0.58) DRD2DRD1HRH3PNMTHTR2A
SCHEMBL1806713 0.78 DRD2 (0.54) DRD2DRD1HRH3PNMTKCNH2
SCHEMBL11474315 0.78 DRD1 (0.82) DRD2DRD1HRH3PNMTDRD4
SCHEMBL1905994 0.78 DRD2 (0.54) DRD2DRD1HRH3PNMTKCNH2
SCHEMBL175086 0.76 DRD2 (0.64) DRD2DRD1SETD7DRD4DRD5
SCHEMBL21393017 0.76 MAOA (0.59) DRD2DRD1PNMTADRA2AADRA2B
SCHEMBL25814865 0.75 DRD2 (0.51) DRD2DRD1HRH3PNMTKCNH2
SCHEMBL11457338 0.75 DRD1 (0.60) DRD2DRD1HRH3KCNH2DRD4

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-2322162-A1 5HT2C receptor modulator compositions and methods of use Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed