SCHEMBL7397702

SCHEMBL7397702

O=C(O)C(CC1CCCCC1)C1CC1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 5/20 0.43
GRM2 Q14416 2/20 0.43
GRM3 Q14832 2/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
APEX1 P27695 1/20 0.43
GRM5 P41594 1/20 0.43
PMP22 Q01453 1/20 0.43
GRM1 Q13255 1/20 0.43
GRM4 Q14833 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC1A1 P43005 4/20 0.38
ANPEP P15144 1/20 0.36
SLC1A3 P43003 2/20 0.35
LTA4H P09960 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
SCHEMBL7443453 0.95 SLC1A2 (0.44) SLC1A2GRM2GRM3LMNACYP2C9
SCHEMBL7364577 0.83 GRM2 (0.41) SLC1A2GRM2GRM3LMNACYP2C9
SCHEMBL7357839 0.72 SLC1A2 (0.50) SLC1A2GRM2GRM3LMNACYP2C9
SCHEMBL1733951 0.71 SLC1A3 (0.44) SLC1A2LMNASLC1A1SLC1A3LTA4H
SCHEMBL5053182 0.69 SLC1A2 (0.47) SLC1A2GRM2GRM3LMNACYP2C9
SCHEMBL7364834 0.69 SLC1A2 (0.40) SLC1A2GRM2GRM3LMNACYP2C9
SCHEMBL8871986 0.69 CPN1 (0.50) SLC1A2SLC1A1SLC1A3LTA4HGRN
SCHEMBL19690672 0.69 SLC1A3 (0.43) SLC1A2LMNASLC1A1SLC1A3LTA4H
SCHEMBL1733993 0.68 SLC1A3 (0.42) SLC1A2SLC1A1SLC1A3LTA4HGRN
SCHEMBL5053079 0.68 SLC1A2 (0.46) SLC1A2GRM2GRM3LMNACYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed