SCHEMBL3620683

SCHEMBL3620683

Oc1ccc(CCCc2ccccc2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.65
ALOX15 P16050 5/20 0.65
HTR2A P28223 1/20 0.52
ADRB2 P07550 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD1 P21728 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
PTGS2 P35354 1/20 0.49
HRH1 P35367 1/20 0.49
DRD3 P35462 1/20 0.49
OPRK1 P41145 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PDE4D Q08499 1/20 0.49
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL16355872 0.92 IGF1R (0.58) IGF1RALOX15ADRB2ADORA3CHRM1
SCHEMBL3267119 0.90 ALOX15 (0.58) IGF1RALOX15ADRB2DRD1SLC6A2
SCHEMBL3234319 0.87 IGF1R (0.63) IGF1RALOX15ADORA3CHRM1ADRA2B
SCHEMBL27677104 0.87 IGF1R (0.50) IGF1RALOX15PTGS2SLC28A3
SCHEMBL3624585 0.85 IGF1R (0.65) IGF1RALOX15HTR2AADRB2ADORA3
SCHEMBL26334743 0.84 ALOX15 (0.61) IGF1RALOX15ADRB2DRD1SLC6A2
SCHEMBL15583718 0.84 ALOX15 (0.61) IGF1RALOX15ADRB2DRD1SLC6A2
SCHEMBL25797957 0.84 ALOX15 (0.61) IGF1RALOX15ADRB2DRD1SLC6A2
SCHEMBL25184069 0.83 OPRM1 (0.64) IGF1RALOX15CHRM1DRD1SLC6A2
SCHEMBL7283191 0.82 ADRB2 (0.76) IGF1RALOX15ADRB2ADORA3CHRM1

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-2010134580-A1 METHOD FOR PRODUCING AROMATIC FLUORINE COMPOUND AND NOVEL COMPOUND 静岡県公立大学法人 (JP) 2010-11-25 WO disclosed