SCHEMBL8223121

SCHEMBL8223121

C[N+](C)(C)Cc1c[nH]c2cc(F)c(F)cc12

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.65
HTR1A P08908 3/20 0.42
HTR2A P28223 3/20 0.40
HTR2C P28335 1/20 0.40
MPO P05164 7/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
KMT2A Q03164 1/20 0.38
HTR2B P41595 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
MTNR1A P48039 1/20 0.36

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
SCHEMBL24358682 0.79 GPR84 (0.71) GPR84HTR1AHTR2AHTR2CMPO
SCHEMBL8226546 0.79 GPR84 (0.67) GPR84HTR1AHTR2AHTR2CMPO
Iodide SCHEMBL1243023 0.78 GPR84 (0.65) GPR84HTR1AHTR2AHTR2CMPO
SCHEMBL13715348 0.76 GPR84 (0.67) GPR84HTR1AHTR2AMPOTRPM8
SCHEMBL29445177 0.75 GPR84 (0.65) GPR84HTR1AHTR2AHTR2CMPO
SCHEMBL23259357 0.75 GPR84 (0.65) GPR84HTR1AHTR2AHTR2CHTR2B
SCHEMBL8222885 0.75 GPR84 (0.65) GPR84HTR1AHTR2AHTR2CMPO
SCHEMBL13715692 0.74 GPR84 (0.69) GPR84HTR1AHTR2AHTR2CMPO
SCHEMBL2539018 0.74 GPR84 (0.69) GPR84HTR1AHTR2AHTR2CMPO
SCHEMBL24912883 0.74 HTR2A (0.69) GPR84HTR1AHTR2AHTR2CHTR2B

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