SCHEMBL6906148

SCHEMBL6906148

CCOC(=O)[C@H]1C2C(NC(=O)c3cccc(C(F)(F)F)c3)CC(NC(=O)OC(C)(C)C)(C(=O)OCC)C21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
TAS1R2 Q8TE23 1/20 0.45
CCR2 P41597 7/20 0.41
PCSK9 Q8NBP7 1/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GRM2 Q14416 2/20 0.36
GRM3 Q14832 2/20 0.36
GRM6 O15303 1/20 0.36
GRM4 Q14833 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CNR2 P34972 1/20 0.36
F2 P00734 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
SCHEMBL6906145 1.00 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2CCR2PCSK9
SCHEMBL6916637 0.90 GRM2 (0.47) ALDH1A1POLBMEN1KMT2ANPSR1
SCHEMBL6916632 0.90 GRM2 (0.47) ALDH1A1POLBMEN1KMT2ANPSR1
SCHEMBL6901988 0.90 GRM2 (0.40) TAS1R3TAS1R1TAS1R2NPSR1GRM2
SCHEMBL6901983 0.90 GRM2 (0.40) TAS1R3TAS1R1TAS1R2NPSR1GRM2
SCHEMBL6911749 0.90 GRM2 (0.38) TAS1R3TAS1R1ALDH1A1L3MBTL1GRM2
SCHEMBL6911744 0.90 GRM2 (0.38) TAS1R3TAS1R1ALDH1A1L3MBTL1GRM2
SCHEMBL6906235 0.88 GRM2 (0.47) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL6906238 0.88 GRM2 (0.47) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL6910269 0.88 GRM2 (0.50) 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
US-20040116489-A1 Synthetic excitatory amino acids ELI LILLY AND COMPANY 2004-06-17 US disclosed