SCHEMBL4734210

SCHEMBL4734210

Cn1cccc1C(=O)N(Cc1ccc(N2CCN(CCc3ccccc3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.47
DRD4 P21917 4/20 0.47
HTR2A P28223 4/20 0.47
DRD3 P35462 4/20 0.47
SLC6A4 P31645 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
DRD2 P14416 3/20 0.44
HTR7 P34969 3/20 0.44
HTR2C P28335 2/20 0.44
DRD1 P21728 2/20 0.44
DRD5 P21918 2/20 0.44
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 1/20 0.42
ADRA2C P18825 1/20 0.41
HRH1 P35367 1/20 0.41
OPRM1 P35372 4/20 0.41
PRKAA2 P54646 1/20 0.41
ME2 P23368 1/20 0.40

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
SCHEMBL4738708 0.88 ALDH1A1 (0.46) HTR1ADRD4HTR2ADRD3SLC6A4
SCHEMBL4803555 0.88 ME2 (0.39) HTR1ADRD4HTR2ADRD3SLC6A4
SCHEMBL4738686 0.85 OPRM1 (0.55) HTR1ADRD4HTR2ADRD3SLC6A4
SCHEMBL4734880 0.84 MEN1 (0.37) HTR1ADRD4HTR2ADRD3SLC6A4
SCHEMBL4737659 0.83 KDM4E (0.47) HTR1ADRD4HTR2ADRD3SLC6A4
SCHEMBL4785409 0.83 TSHR (0.52) HTR1ADRD4HTR2ADRD3SLC6A4
SCHEMBL4738789 0.83 OPRM1 (0.49) HTR1ADRD4HTR2ADRD3SLC6A4
SCHEMBL4733936 0.83 OPRM1 (0.49) HTR1ADRD4HTR2ADRD3SLC6A4
SCHEMBL3829302 0.79 ALDH1A1 (0.50) HTR1ADRD4HTR2ADRD3SLC6A4
SCHEMBL3830332 0.79 MEN1 (0.45) HTR1ADRD4HTR2ADRD3SLC6A4

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed