SCHEMBL30877232

SCHEMBL30877232

CC(C)CN(C)CCc1c[nH]c2c(F)cc(O)cc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.42
HTR1A P08908 4/20 0.42
HTR2C P28335 2/20 0.42
SLC6A4 P31645 2/20 0.42
HTR2B P41595 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
HTR1D P28221 3/20 0.38
MPO P05164 2/20 0.36
HTR1B P28222 1/20 0.35

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
SCHEMBL29206492 1.00 HTR2A (0.42) HTR2AHTR1AHTR2CSLC6A4HTR2B
SCHEMBL29206361 0.88 HTR2A (0.38) HTR2AHTR1AHTR2CSLC6A4HTR2B
SCHEMBL30877285 0.88 HTR2A (0.38) HTR2AHTR1AHTR2CSLC6A4HTR2B
SCHEMBL30877211 0.87 GPR84 (0.55) HTR2AHTR1ASLC6A4GPR84HTR1D
SCHEMBL30877245 0.86 HTR2A (0.43) HTR2AHTR1AHTR2CSLC6A4HTR2B
SCHEMBL29206462 0.86 HTR2A (0.43) HTR2AHTR1AHTR2CSLC6A4HTR2B
SCHEMBL29206396 0.85 HTR2A (0.54) HTR2AHTR1AHTR2CSLC6A4HTR2B
SCHEMBL29206385 0.85 HTR1A (0.57) HTR2AHTR1AHTR2CSLC6A4HTR2B
SCHEMBL30877260 0.84 HTR1D (0.47) HTR2AHTR1AHTR2CSLC6A4HTR2B
SCHEMBL29206402 0.84 HTR1D (0.47) HTR2AHTR1AHTR2CSLC6A4HTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957211-A Fluorinated tryptamine compounds, analogs thereof, and methods of use thereof 圣约瑟夫大学 2024-04-30 CN claimed
CN-117957211-A Fluorinated tryptamine compounds, analogs thereof, and methods of use thereof 圣约瑟夫大学 2024-04-30 CN disclosed