SCHEMBL28807271

SCHEMBL28807271

O=C(Nc1cccc(C(F)=C2CCN(C(=O)O)CC2)n1)c1c(F)cc(F)cc1F

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 13/20 0.79
HTR1A P08908 1/20 0.79
HTR1B P28222 1/20 0.79
HTR2A P28223 1/20 0.79
HTR2C P28335 1/20 0.79
HTR2B P41595 1/20 0.79
CHRM5 P08912 1/20 0.55
DRD5 P21918 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1E P28566 1/20 0.55
HTR7 P34969 1/20 0.55
OPRK1 P41145 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GRM5 P41594 2/20 0.38
RORC P51449 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
SCHEMBL21770793 0.88 HTR1F (1.00) HTR1FHTR1AHTR1BHTR2AHTR2C
SCHEMBL29644497 0.88 HTR1F (1.00) HTR1FHTR1AHTR1BHTR2AHTR2C
SCHEMBL28947327 0.88 HTR1F (0.80) HTR1FHTR1AHTR1BHTR2AHTR2C
SCHEMBL21770757 0.87 HTR1F (0.80) HTR1FHTR1AHTR1BHTR2AHTR2C
SCHEMBL21770761 0.85 HTR1F (1.00) HTR1FHTR1AHTR1BHTR2AHTR2C
SCHEMBL21770760 0.85 HTR1F (1.00) HTR1FHTR1AHTR1BHTR2AHTR2C
SCHEMBL23528985 0.85 HTR1F (0.72) HTR1FHTR1AHTR1BHTR2AHTR2C
SCHEMBL28807272 0.85 HTR1F (0.78) HTR1FHTR1AHTR1BHTR2AHTR2C
SCHEMBL21770756 0.84 HTR1F (0.79) HTR1FHTR1AHTR1BHTR2AHTR2C
SCHEMBL23528996 0.84 HTR1F (0.73) HTR1FHTR1AHTR1BHTR2AHTR2C

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-110437205-B Pyridinonylpiperidine derivatives and use thereof 广东东阳光药业有限公司 2022-07-08 CN disclosed