SCHEMBL22201773

SCHEMBL22201773

Fc1cccc(CCCC2CC3CCCC(C2)C3)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.51
DRD2 P14416 1/20 0.51
SLC6A4 P31645 1/20 0.51
CHRM4 P08173 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
HTT P42858 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL17565146 0.83 SLC6A3 (0.54) SLC6A3DRD2SLC6A4MAOAMAOB
SCHEMBL6897427 0.82 SLC6A3 (0.53) SLC6A3DRD2SLC6A4MAOAMAOB
SCHEMBL4321331 0.77 SLC6A3 (0.50) SLC6A3DRD2SLC6A4MAOAMAOB
SCHEMBL13569151 0.72 MAOA (0.59) SLC6A3DRD2SLC6A4MAOAMAOB
SCHEMBL23642788 0.71 SLC18A3 (0.40) DRD2
SCHEMBL4813628 0.71 SLC6A3 (0.49) SLC6A3MAOAMAOBTAAR1
SCHEMBL4821712 0.71 SLC18A2 (0.67) SLC6A3
SCHEMBL4283436 0.70 ALDH1A1 (0.47) SLC6A3DRD2SLC6A4TAAR1HTT
SCHEMBL22201802 0.70 MEN1 (0.35) SLC6A3CHRM4CHRM2CHRM5MAOA
SCHEMBL8375638 0.70 MAOA (0.53) SLC6A3DRD2SLC6A4MAOAMAOB

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
US-20200216670-A1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed