SCHEMBL28370930

SCHEMBL28370930

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.61
TRPM8 Q7Z2W7 1/20 0.61
GPR84 Q9NQS5 1/20 0.59
SLC6A4 P31645 3/20 0.55
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP14 P50281 1/20 0.52
GFER P55789 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
SLC6A2 P23975 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51

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
SCHEMBL28370629 0.88 GPR84 (0.59) HTR2ATRPM8GPR84SLC6A4MTNR1A
SCHEMBL763949 0.82 HTR2A (0.61) HTR2ATRPM8GPR84SLC6A4MTNR1A
SCHEMBL28374497 0.82 MPO (0.61) HTR2ATRPM8GPR84SLC6A4HTR1A
SCHEMBL8404321 0.82 HTR2A (0.61) HTR2ASLC6A4MTNR1AMTNR1BGFER
SCHEMBL30776143 0.82 GPR84 (0.44) HTR2ATRPM8GPR84SLC6A4MTNR1A
SCHEMBL2539333 0.79 SLC6A4 (0.57) SLC6A4HTR1ADRD2DRD3
SCHEMBL29440786 0.79 HTR2A (0.64) HTR2ATRPM8GPR84SLC6A4MTNR1A
SCHEMBL28704885 0.79 HTR2A (0.64) HTR2ATRPM8GPR84SLC6A4MTNR1A
SCHEMBL2187283 0.78 PKM (0.62) HTR2ATRPM8GPR84HSD17B10HTR1A
SCHEMBL30995725 0.78 PKM (0.62) HTR2ATRPM8GPR84HSD17B10HTR1A

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