SCHEMBL6910265

SCHEMBL6910265

CCOC(=O)C1C2C(NC(=O)c3cccc(OC)c3)CC(NC(=O)OC(C)(C)C)(C(=O)OCC)C12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.50
GRM3 Q14832 3/20 0.50
GRM6 O15303 1/20 0.50
GRM4 Q14833 1/20 0.50
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
FAAH O00519 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CHRM1 P11229 2/20 0.37
HPGD P15428 1/20 0.36
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
GRM5 P41594 1/20 0.36
TAS1R2 Q8TE23 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
SCHEMBL6910269 1.00 GRM2 (0.50) GRM2GRM3GRM6GRM4MEN1
SCHEMBL6911749 0.91 GRM2 (0.38) GRM2GRM3GRM6GRM4ALDH1A1
SCHEMBL6901988 0.91 GRM2 (0.40) GRM2GRM3GRM6GRM4RAB9A
SCHEMBL6911744 0.91 GRM2 (0.38) GRM2GRM3GRM6GRM4ALDH1A1
SCHEMBL6901983 0.91 GRM2 (0.40) GRM2GRM3GRM6GRM4RAB9A
SCHEMBL6909754 0.90 GRM2 (0.47) GRM2GRM3GRM6GRM4MEN1
SCHEMBL6909757 0.90 GRM2 (0.47) GRM2GRM3GRM6GRM4MEN1
SCHEMBL6906235 0.89 GRM2 (0.47) GRM2GRM3GRM6GRM4MEN1
SCHEMBL6906238 0.89 GRM2 (0.47) GRM2GRM3GRM6GRM4MEN1
SCHEMBL6916637 0.89 GRM2 (0.47) GRM2GRM3GRM6GRM4MEN1

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