SCHEMBL8764458

SCHEMBL8764458

NC1(C(=O)O)C(Cc2ccc(-c3ccccc3)cc2)CC2C(C(=O)O)C21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.64
GRM3 Q14832 11/20 0.64
GRM8 O00222 1/20 0.47
GRM4 Q14833 1/20 0.47
SLC1A2 P43004 1/20 0.39
ABCC4 O15439 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.36
HTT P42858 1/20 0.36
SRR Q9GZT4 1/20 0.35
PSAT1 Q9Y617 1/20 0.35

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
SCHEMBL8764744 0.92 GRM2 (0.65) GRM2GRM3GRM8GRM4SLC1A2
SCHEMBL8892624 0.92 GRM2 (0.65) GRM2GRM3GRM8GRM4SLC1A2
SCHEMBL8764465 0.86 GRM2 (0.65) GRM2GRM3GRM8GRM4SLC1A2
SCHEMBL8764687 0.86 GRM2 (0.71) GRM2GRM3GRM8GRM4
SCHEMBL8764501 0.86 GRM2 (0.75) GRM2GRM3GRM8GRM4SLC1A2
SCHEMBL8763480 0.83 GRM2 (0.61) GRM2GRM3GRM8GRM4LMNA
SCHEMBL8764439 0.81 GRM2 (0.81) GRM2GRM3GRM8GRM4
SCHEMBL8891838 0.80 GRM2 (0.63) GRM2GRM3GRM8GRM4SLC1A2
SCHEMBL8762579 0.80 GRM2 (0.63) GRM2GRM3GRM8GRM4SLC1A2
SCHEMBL8763907 0.80 GRM2 (0.69) GRM2GRM3GRM8GRM4SLC1A2

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
EP-0774455-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed