SCHEMBL28374497

SCHEMBL28374497

O=[N+]([O-])CCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MPO P05164 15/20 0.61
HTR2A P28223 1/20 0.61
TRPM8 Q7Z2W7 1/20 0.61
HTR1A P08908 2/20 0.60
KMT2A Q03164 1/20 0.60
GPR84 Q9NQS5 1/20 0.59
SLC6A4 P31645 2/20 0.57
TSHR P16473 1/20 0.55

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
SCHEMBL14500078 0.88 HTR2A (0.61) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL28370930 0.82 HTR2A (0.61) HTR2ATRPM8HTR1AKMT2AGPR84
SCHEMBL763949 0.82 HTR2A (0.61) HTR2ATRPM8HTR1AGPR84SLC6A4
SCHEMBL8404321 0.82 HTR2A (0.61) HTR2AHTR1AKMT2ASLC6A4
SCHEMBL29440786 0.79 HTR2A (0.64) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL28704885 0.79 HTR2A (0.64) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL2539333 0.79 SLC6A4 (0.57) HTR1ASLC6A4
SCHEMBL2187283 0.78 PKM (0.62) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL30995725 0.78 PKM (0.62) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL27837190 0.77 MPO (0.66) MPOHTR2ATRPM8HTR1AKMT2A

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-106986859-B Indole derivatives and uses thereof 广东东阳光药业有限公司 2020-02-11 CN disclosed