SCHEMBL6912129

SCHEMBL6912129

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 1/20 0.35
GRM2 Q14416 4/20 0.35
GRM3 Q14832 4/20 0.35
CHRM1 P11229 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
CYP2C9 P11712 1/20 0.30
MAPK14 Q16539 1/20 0.30
GRM6 O15303 1/20 0.30
GRM4 Q14833 1/20 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
SCHEMBL6912130 1.00 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2GRM2GRM3
SCHEMBL6916637 0.91 GRM2 (0.47) GRM2GRM3MEN1ALDH1A1TSHR
SCHEMBL6916632 0.91 GRM2 (0.47) GRM2GRM3MEN1ALDH1A1TSHR
SCHEMBL6906608 0.91 GRM2 (0.43) GRM2GRM3TSHRDPP8DPP9
SCHEMBL6906612 0.91 GRM2 (0.43) GRM2GRM3TSHRDPP8DPP9
SCHEMBL6909803 0.90 GRM2 (0.36) TAS1R3TAS1R1TAS1R2GRM2GRM3
SCHEMBL6909800 0.90 GRM2 (0.36) TAS1R3TAS1R1TAS1R2GRM2GRM3
SCHEMBL6913681 0.87 GRM2 (0.37) TAS1R3TAS1R1GRM2GRM3MEN1
SCHEMBL6913679 0.87 GRM2 (0.37) TAS1R3TAS1R1GRM2GRM3MEN1
SCHEMBL6911124 0.86 GRM2 (0.38) TAS1R3TAS1R1GRM2GRM3MEN1

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