SCHEMBL29484307

SCHEMBL29484307

FC(F)(F)c1ccccc1C1CCCN1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.56
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HCRTR2 O43614 1/20 0.42
CHRM5 P08912 3/20 0.41
CHRM3 P20309 3/20 0.41
CHRM1 P11229 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
HTR2B P41595 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
RBP4 P02753 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR1A P08908 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL457401 1.00 HTR2C (0.56) HTR2CGAATDP1HCRTR2CHRM5
SCHEMBL29589456 1.00 HTR2C (0.56) HTR2CGAATDP1HCRTR2CHRM5
Hydrochloric Acid SCHEMBL31444282 0.98 HTR2C (0.57) HTR2CGAATDP1HCRTR2CHRM5
Hydrochloric Acid SCHEMBL6092900 0.98 HTR2C (0.57) HTR2CGAATDP1HCRTR2CHRM5
SCHEMBL30092853 0.95 HTR2C (0.54) HTR2CGAATDP1HCRTR2HTR2B
SCHEMBL30092890 0.87 HTR2C (0.61) HTR2CGAATDP1HTR2BSLC6A2
SCHEMBL23323083 0.87 HTR2C (0.41) HTR2CHCRTR2CHRM5CHRM3CHRM1
SCHEMBL28946603 0.87 HTR2C (0.41) HTR2CGAAHCRTR2CHRM5CHRM3
SCHEMBL28946600 0.87 HTR2C (0.41) HTR2CGAAHCRTR2CHRM5CHRM3
Hydrochloric Acid SCHEMBL5251755 0.84 POLB (0.56) HTR2C

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
CN-109111435-B Pyrrolidine sulfonyl derivative ROR gamma regulator and application thereof 南京柯菲平盛辉制药有限公司 2022-03-18 CN disclosed