SCHEMBL16716557

SCHEMBL16716557

CC1=NC(C)=C1Cn1cc(-n2c(=O)[nH]n(Cc3ccccc3)c2=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TAS2R8 Q9NYW2 17/20 0.48
▸ DAO P14920 1/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA1 P30542 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
SCHEMBL16716540 0.80 TAS2R8 (0.64) TAS2R8
SCHEMBL1279411 0.79 TAS2R8 (0.76) TAS2R8
SCHEMBL16716503 0.78 TAS2R8 (0.66) TAS2R8ADORA2AADORA2BADORA3ADORA1
SCHEMBL16716547 0.78 TAS2R8 (0.66) TAS2R8
SCHEMBL12062463 0.75 TAS2R8 (0.44) TAS2R8
SCHEMBL13562510 0.72 PGR (0.53) DAO
SCHEMBL1615458 0.71 TAS2R8 (0.77) TAS2R8
SCHEMBL17480041 0.66 TAS2R8 (0.72) TAS2R8
SCHEMBL1279105 0.65 TAS2R8 (1.00) TAS2R8
SCHEMBL13562508 0.63 DAO (0.53) DAOADORA2BADORA3

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
EP-2487169-B1 Compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX INC (US) 2015-05-20 — — EP disclosed
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