SCHEMBL5317302

SCHEMBL5317302

Cc1cccc2c1CCC[C@H]2NC(=O)c1conc1C

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 12/20 0.79
TAS1R1 Q7RTX1 12/20 0.79
TAS1R2 Q8TE23 12/20 0.79
RECQL P46063 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46
HSD17B2 P37059 1/20 0.43
PDE10A Q9Y233 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5317303 1.00 TAS1R3 (0.79) TAS1R3TAS1R1TAS1R2RECQLALDH1A1
SCHEMBL5394823 0.88 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL701644 0.88 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL702742 0.85 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2RECQLALDH1A1
SCHEMBL29412432 0.85 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2RECQLALDH1A1
SCHEMBL702741 0.85 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2RECQLALDH1A1
SCHEMBL702397 0.84 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2RECQLALDH1A1
SCHEMBL20860977 0.84 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2RECQLALDH1A1
SCHEMBL5277236 0.84 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2RECQLALDH1A1
SCHEMBL702097 0.78 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2RECQLALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848289-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx, Inc. (US) 2007-10-31 EP disclosed
WO-2006084246-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-08-10 WO disclosed
US-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US disclosed