SCHEMBL9628951

SCHEMBL9628951

Fc1ccc(CCCC(c2ccc3c(c2)OCO3)C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HTR2A P28223 8/20 0.39
HTR2C P28335 8/20 0.39
HTR2B P41595 8/20 0.39
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
ADRB1 P08588 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR1D P28221 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL9629106 0.86 FDFT1 (0.35) HTR2AHTR2CHTR2BHTR1AHTR7
SCHEMBL9804347 0.86 MAOB (0.45) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL9570936 0.85 LMNA (0.39) MAOBHTR1AHTR7TP53GPR55
SCHEMBL10649374 0.84 MAOA (0.39) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL10652424 0.84 MAOA (0.39) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL9493734 0.82 CETP (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL7929110 0.82 FDFT1 (0.37)
SCHEMBL7934903 0.81 TTR (0.41)
SCHEMBL7922569 0.80 FDFT1 (0.40) TP53
SCHEMBL407786 0.80 LTA4H (0.41) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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-0233834-B1 INSECTICIDAL TRIFLUORMETHYL ALKANE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-22 EP claimed