SCHEMBL13522016

SCHEMBL13522016

Fc1cccc(CC2CC3=CCCC=C3CN2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.40
TAAR1 Q96RJ0 2/20 0.36
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A3 Q01959 3/20 0.34
SLC6A2 P23975 2/20 0.34
TRPA1 O75762 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM3 P20309 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL3130633 0.77 PNMT (0.55) PLG
SCHEMBL14997332 0.70 CYP2D6 (0.37) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL10967469 0.69 MEN1 (0.39) TAAR1HTR2A
SCHEMBL10132275 0.69 POLB (0.58) PLGHTR2A
SCHEMBL20828166 0.69 POLB (0.58) PLGHTR2A
SCHEMBL23222206 0.68 PLG (0.48) PLGTAAR1CHRM2CHRM4CHRM5
SCHEMBL22453306 0.66 TRPA1 (0.45) PLGTAAR1IDO1AGXTALDH1A1
SCHEMBL22453507 0.66 TRPA1 (0.45) PLGTAAR1IDO1AGXTALDH1A1
SCHEMBL3129776 0.66 PNMT (0.47) HTR2A
SCHEMBL22445110 0.65 PLG (0.45) PLGTAAR1IDO1AGXTCHRM2

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-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP disclosed