SCHEMBL6906608

SCHEMBL6906608

CCOC(=O)C1C2C(NC(=O)c3ccc(F)cc3)CC(NC(=O)OC(C)(C)C)(C(=O)OCC)C12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.43
GRM3 Q14832 5/20 0.43
SSTR3 P32745 4/20 0.38
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
RORC P51449 2/20 0.33
USP30 Q70CQ3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KCNQ4 P56696 2/20 0.33
KCNQ5 Q9NR82 2/20 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
SCHEMBL6906612 1.00 GRM2 (0.43) GRM2GRM3SSTR3HDAC4HDAC6
SCHEMBL6913681 0.93 GRM2 (0.37) GRM2GRM3SSTR3HDAC4HDAC6
SCHEMBL6913679 0.93 GRM2 (0.37) GRM2GRM3SSTR3HDAC4HDAC6
SCHEMBL6911129 0.92 GRM2 (0.38) GRM2GRM3HDAC4HDAC6USP30
SCHEMBL6911124 0.92 GRM2 (0.38) GRM2GRM3HDAC4HDAC6USP30
SCHEMBL6904297 0.91 GRM2 (0.43) GRM2GRM3KDM4ELMNAMAPT
SCHEMBL6912129 0.91 TAS1R3 (0.35) GRM2GRM3DPP8DPP9TSHR
SCHEMBL6904292 0.91 GRM2 (0.43) GRM2GRM3KDM4ELMNAMAPT
SCHEMBL6912130 0.91 TAS1R3 (0.35) GRM2GRM3DPP8DPP9TSHR
SCHEMBL6909757 0.90 GRM2 (0.47) GRM2GRM3SSTR3LMNAMAPT

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