SCHEMBL5923976

SCHEMBL5923976

COc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1C

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.83
PDE4B Q07343 1/20 0.83
PDE4C Q08493 1/20 0.83
PDE4D Q08499 1/20 0.83
TAS1R3 Q7RTX0 2/20 0.78
TAS1R1 Q7RTX1 2/20 0.78
ROCK2 O75116 1/20 0.64
KMT2A Q03164 5/20 0.63
SLC5A7 Q9GZV3 1/20 0.63
POLB P06746 1/20 0.63
MEN1 O00255 3/20 0.59
LMNA P02545 1/20 0.57
HPGDS O60760 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ADORA2A P29274 1/20 0.54

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
SCHEMBL2064349 1.00 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL2064346 1.00 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL5923942 0.93 TAS1R3 (0.74) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL5923946 0.93 TAS1R3 (0.74) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL5923955 0.88 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL5923928 0.88 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL5923930 0.88 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL705805 0.87 TAS1R3 (1.00) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL5923966 0.87 TAS1R3 (0.70) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL5923964 0.87 TAS1R3 (0.70) PDE4APDE4BPDE4CPDE4DTAS1R3

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
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