SCHEMBL8226546

SCHEMBL8226546

C[N+](C)(C)Cc1c[nH]c2ccc(F)cc12

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.67
MPO P05164 12/20 0.63
HTR2A P28223 4/20 0.59
TRPM8 Q7Z2W7 1/20 0.59
HTR2C P28335 1/20 0.59
HTR1A P08908 1/20 0.58
KMT2A Q03164 1/20 0.58
TSHR P16473 1/20 0.56
SLC6A4 P31645 1/20 0.56

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
Iodide SCHEMBL1243023 0.85 GPR84 (0.65) GPR84MPOHTR2ATRPM8HTR2C
SCHEMBL8297901 0.81 GPR84 (0.73) GPR84MPOHTR2ATRPM8HTR2C
SCHEMBL30482437 0.80 GPR84 (1.00) GPR84MPOHTR2ATRPM8HTR2C
SCHEMBL18383118 0.80 GPR84 (1.00) GPR84MPOHTR2ATRPM8HTR2C
SCHEMBL30913603 0.80 GPR84 (1.00) GPR84MPOHTR2ATRPM8HTR2C
SCHEMBL8223121 0.79 GPR84 (0.65) GPR84MPOHTR2ATRPM8HTR2C
SCHEMBL30969154 0.78 MPO (0.75) GPR84MPOHTR2ATRPM8HTR1A
SCHEMBL2406225 0.78 MPO (0.71) GPR84MPOHTR2ATRPM8HTR2C
SCHEMBL2122451 0.78 MPO (0.75) GPR84MPOHTR2ATRPM8HTR1A
SCHEMBL23269531 0.77 GPR84 (0.73) GPR84MPOHTR2ATRPM8HTR2C

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
WO-2008040974-A1 INDOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LIMITED (GB) 2008-04-10 WO disclosed