SCHEMBL16716503

SCHEMBL16716503

CCCn1c(=O)n(-c2cnn(CC3=C(C)N=C3C)c2)c(=O)n1Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TAS2R8 Q9NYW2 14/20 0.66
▸ ADORA2B P29275 5/20 0.40
▸ ADORA1 P30542 5/20 0.40
▸ ADORA2A P29274 4/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ CREBBP Q92793 1/20 0.37

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 0.92 TAS2R8 (0.64) TAS2R8CREBBP
SCHEMBL16716547 0.87 TAS2R8 (0.66) TAS2R8
SCHEMBL1279498 0.79 TAS2R8 (1.00) TAS2R8
SCHEMBL16716557 0.78 TAS2R8 (0.48) TAS2R8ADORA2BADORA1ADORA2AADORA3
SCHEMBL1279293 0.74 TAS2R8 (1.00) TAS2R8
SCHEMBL1278900 0.72 TAS2R8 (1.00) TAS2R8
SCHEMBL1279646 0.71 TAS2R8 (1.00) TAS2R8
SCHEMBL1655607 0.70 TAS2R8 (0.61) TAS2R8ADORA2BADORA1ADORA2AADORA3
SCHEMBL1279790 0.69 TAS2R8 (1.00) TAS2R8
SCHEMBL1279587 0.69 TAS2R8 (1.00) TAS2R8

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
Send feedback