SCHEMBL20860922

SCHEMBL20860922

C=C(NC1CCC(C)c2ccccc21)c1cccc(Cl)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 11/20 0.63
TAS1R1 Q7RTX1 11/20 0.63
TAS1R2 Q8TE23 11/20 0.63
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
HTR1A P08908 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
HTR2A P28223 2/20 0.36
CYP2C19 P33261 2/20 0.36
ADRA1A P35348 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
MT-CO2 P00403 1/20 0.36
LMNA P02545 1/20 0.36
TTR P02766 1/20 0.36
PLA2G1B P04054 1/20 0.36
PGR P06401 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
SCHEMBL20662809 0.88 TAS1R3 (0.78) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL701799 0.78 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1NPC1
SCHEMBL702935 0.68 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL702936 0.68 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL20662806 0.67 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL20861071 0.66 TAS1R3 (0.79) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL20860881 0.65 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2HSD17B2
SCHEMBL8253156 0.65 PDPK1 (0.55) SLC6A2SLC6A4SLC6A3
SCHEMBL16421257 0.65 PDPK1 (0.55) SLC6A2SLC6A4SLC6A3
SCHEMBL702097 0.64 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1

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-1659881-B1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC (US) 2019-04-03 EP disclosed