SCHEMBL5272877

SCHEMBL5272877

Cc1cc(C)c2c(c1)[C@H](N)CCC2

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.62
KDM4C Q9H3R0 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
ACHE P22303 2/20 0.33
PSMB5 P28074 1/20 0.32
ADRA1A P35348 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TAS1R2 Q8TE23 2/20 0.31
HRH3 Q9Y5N1 2/20 0.30

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
SCHEMBL30831935 1.00 UGT2B17 (0.62) UGT2B17KDM4CSIGMAR1CYP11B1CYP11B2
SCHEMBL703510 1.00 UGT2B17 (0.62) UGT2B17KDM4CSIGMAR1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL1976240 0.98 UGT2B17 (0.61) UGT2B17KDM4CSIGMAR1CYP11B1CYP11B2
SCHEMBL13114074 0.90 UGT2B17 (0.55) UGT2B17KDM4CSIGMAR1CYP11B1CYP11B2
SCHEMBL6799194 0.77 UGT2B17 (1.00) UGT2B17KDM4CSIGMAR1CYP11B1CYP11B2
SCHEMBL15825377 0.77 UGT2B17 (0.57) UGT2B17KDM4CSIGMAR1ADRA1A
SCHEMBL22222496 0.74 UGT2B17 (0.64) UGT2B17KDM4CSIGMAR1PSMB5HRH3
SCHEMBL1150666 0.73 ADRA2A (0.43) UGT2B17CYP11B1CYP11B2ACHEADRA1A
SCHEMBL3585626 0.73 ADRA2A (0.43) UGT2B17CYP11B1CYP11B2ACHEADRA1A
SCHEMBL15287102 0.73 UGT2B17 (0.57) UGT2B17KDM4CSIGMAR1TAS1R3TAS1R1

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