SCHEMBL6914736

SCHEMBL6914736

CCOC(=O)[C@H]1C2C(NC(=O)c3ccc(Cl)c(Cl)c3)CC(NC(=O)OC(C)(C)C)(C(=O)OCC)C21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.42
TAS1R1 Q7RTX1 5/20 0.42
TAS1R2 Q8TE23 2/20 0.41
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
CHRNA7 P36544 1/20 0.34
GRM2 Q14416 2/20 0.34
GRM3 Q14832 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SSTR3 P32745 1/20 0.33
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33

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
SCHEMBL6914733 1.00 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2TSHRMAPT
SCHEMBL6904297 0.90 GRM2 (0.43) TAS1R3TAS1R1MAPTNPSR1ALDH1A1
SCHEMBL6904292 0.90 GRM2 (0.43) TAS1R3TAS1R1MAPTNPSR1ALDH1A1
SCHEMBL6909803 0.89 GRM2 (0.36) TAS1R3TAS1R1TAS1R2TSHRMAPT
SCHEMBL6909800 0.89 GRM2 (0.36) TAS1R3TAS1R1TAS1R2TSHRMAPT
SCHEMBL6906235 0.89 GRM2 (0.47) TAS1R3TAS1R1MAPTALDH1A1GRM2
SCHEMBL6906238 0.89 GRM2 (0.47) TAS1R3TAS1R1MAPTALDH1A1GRM2
SCHEMBL6913679 0.88 GRM2 (0.37) TAS1R3TAS1R1TSHRNPSR1ALDH1A1
SCHEMBL6913681 0.88 GRM2 (0.37) TAS1R3TAS1R1TSHRNPSR1ALDH1A1
SCHEMBL6911124 0.88 GRM2 (0.38) TAS1R3TAS1R1TSHRMAPTALDH1A1

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