SCHEMBL6909800

SCHEMBL6909800

CCOC(=O)C1C2C(NC(=O)c3cc(Cl)cc(Cl)c3)CC(NC(=O)OC(C)(C)C)(C(=O)OCC)C12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.36
GRM3 Q14832 4/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 1/20 0.34
HSD11B1 P28845 1/20 0.33
KCNH2 Q12809 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CACNA1H O95180 2/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
GRN P28799 2/20 0.32
SORT1 Q99523 2/20 0.32
CACNA1I Q9P0X4 2/20 0.32
NFKB1 P19838 3/20 0.32
NFKB2 Q00653 3/20 0.32
RELA Q04206 3/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL6909803 1.00 GRM2 (0.36) GRM2GRM3TAS1R3TAS1R1TAS1R2
SCHEMBL6906235 0.92 GRM2 (0.47) GRM2GRM3TAS1R3TAS1R1ALDH1A1
SCHEMBL6906238 0.92 GRM2 (0.47) GRM2GRM3TAS1R3TAS1R1ALDH1A1
SCHEMBL6904297 0.92 GRM2 (0.43) GRM2GRM3TAS1R3TAS1R1HSD11B1
SCHEMBL6904292 0.92 GRM2 (0.43) GRM2GRM3TAS1R3TAS1R1HSD11B1
SCHEMBL6912130 0.90 TAS1R3 (0.35) GRM2GRM3TAS1R3TAS1R1TAS1R2
SCHEMBL6912129 0.90 TAS1R3 (0.35) GRM2GRM3TAS1R3TAS1R1TAS1R2
SCHEMBL6914733 0.89 TAS1R3 (0.42) GRM2GRM3TAS1R3TAS1R1TAS1R2
SCHEMBL6914736 0.89 TAS1R3 (0.42) GRM2GRM3TAS1R3TAS1R1TAS1R2
SCHEMBL6913681 0.88 GRM2 (0.37) GRM2GRM3TAS1R3TAS1R1ALDH1A1

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-20040116489-A1 Synthetic excitatory amino acids ELI LILLY AND COMPANY 2004-06-17 US disclosed