SCHEMBL14614546

SCHEMBL14614546

CN(F)C1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.50
HTR1A P08908 3/20 0.44
HTR7 P34969 2/20 0.44
HTR2A P28223 10/20 0.42
HTR2C P28335 10/20 0.42
HRH3 Q9Y5N1 10/20 0.42
HTR2B P41595 9/20 0.42
SIGMAR1 Q99720 3/20 0.42
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
MTOR P42345 1/20 0.40
HTT P42858 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL2248107 0.80 DRD3 (0.54) DRD3HTR1AHTR7HTR2AHTR2C
SCHEMBL7092682 0.80 DRD3 (0.54) DRD3HTR1AHTR2AHTR2CHRH3
SCHEMBL31808827 0.80 DRD3 (0.54) DRD3HTR1AHTR7HTR2AHTR2C
SCHEMBL27534166 0.76 DRD3 (0.50) DRD3HTR1AHTR2AHTR2CHRH3
SCHEMBL20012253 0.73 HTR2A (0.49) DRD3HTR1AHTR7HTR2AHTR2C
Hydrochloric Acid SCHEMBL10462146 0.73 SIGMAR1 (0.50) DRD3HTR2AHTR2CHRH3HTR2B
SCHEMBL12125958 0.73 DRD3 (0.57) DRD3HTR1AHTR2AHTR2CHRH3
SCHEMBL1950024 0.71 HTR1A (0.61) DRD3HTR1AHTR7CHRM1DRD2
SCHEMBL14626044 0.71 DRD3 (0.46) DRD3HTR1AHTR2AHTR2CHRH3
SCHEMBL823058 0.71 HTR1A (0.61) DRD3HTR1AHTR7CHRM1DRD2

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-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed