SCHEMBL8764665

SCHEMBL8764665

NC1(C(=O)O)C(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC2C(C(=O)O)C21

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.63
GRM3 Q14832 5/20 0.63
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
FFAR4 Q5NUL3 1/20 0.40
FAAH O00519 5/20 0.39
CCR8 P51685 1/20 0.39
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.39
DAGLA Q9Y4D2 1/20 0.38
GRM8 O00222 1/20 0.38
GRM4 Q14833 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MGLL Q99685 1/20 0.37

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
SCHEMBL8764755 0.93 GRM2 (0.60) GRM2GRM3FFAR4FAAHCCR8
SCHEMBL8764501 0.83 GRM2 (0.75) GRM2GRM3GRM8GRM4
SCHEMBL8763689 0.82 GRM2 (0.59) GRM2GRM3FFAR4GRM8GRM4
SCHEMBL8762578 0.80 GRM2 (0.56) GRM2GRM3GRM8GRM4
SCHEMBL8764744 0.79 GRM2 (0.65) GRM2GRM3GRM8GRM4
SCHEMBL8892624 0.79 GRM2 (0.65) GRM2GRM3GRM8GRM4
SCHEMBL8762579 0.79 GRM2 (0.63) GRM2GRM3FAAHGRM8GRM4
SCHEMBL8763907 0.79 GRM2 (0.69) GRM2GRM3GRM8GRM4
SCHEMBL8764032 0.77 GRM2 (1.00) GRM2GRM3GRM8GRM4
SCHEMBL8891901 0.77 GRM2 (1.00) GRM2GRM3GRM8GRM4

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