SCHEMBL21381529

SCHEMBL21381529

N[C@@H](C[S+]([O-])CCCC(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM8 O00222 2/20 0.45
▸ GRM6 O15303 2/20 0.45
▸ GRM7 Q14831 2/20 0.45
▸ GRM4 Q14833 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GSR P00390 1/20 0.45
▸ GRIK1 P39086 1/20 0.45
▸ GRM5 P41594 1/20 0.45
▸ GRIA1 P42261 1/20 0.45
▸ GRIA2 P42262 1/20 0.45
▸ GRIA3 P42263 1/20 0.45
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ SLC1A1 P43005 1/20 0.45
▸ GRIA4 P48058 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIK2 Q13002 1/20 0.45

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
SCHEMBL21381531 1.00 GRM8 (0.45) GRM8GRM6GRM7GRM4CYP1A2
SCHEMBL10142221 0.89 GRM8 (0.48) GRM8GRM6GRM7GRM4CYP1A2
SCHEMBL28573530 0.83 PTGS1 (0.35) GRM8GRM6GRM7GRM4CYP1A2
SCHEMBL23635934 0.83 PTGS1 (0.35) GRM8GRM6GRM7GRM4CYP1A2
SCHEMBL17789224 0.81 SLC1A2 (0.44) CYP1A2GSRGRIK1GRM5SLC1A3
SCHEMBL1158176 0.81 SLC1A2 (0.44) CYP1A2GSRGRIK1GRM5SLC1A3
SCHEMBL2405601 0.80 PTGS1 (0.46) GRM8GRM6GRM7GRM4CYP1A2
SCHEMBL13684358 0.79 PTGS1 (0.38) GRM8GRM6GRM7GRM4CYP1A2
SCHEMBL11883461 0.79 GSR (0.42) GRM8GRM6GRM7GRM4CYP1A2
SCHEMBL2729297 0.79 GSR (0.47) GRM8GRM6GRM7GRM4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019179985-A1 INHIBITORS OF MINT AND USES THEREOF UNIVERSITY OF COPENHAGEN (DK) 2019-09-26 — — WO claimed
WO-2019179985-A1 INHIBITORS OF MINT AND USES THEREOF UNIVERSITY OF COPENHAGEN (DK) 2019-09-26 — — WO disclosed
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