SCHEMBL9501504

SCHEMBL9501504

N[C@@H](CC(=O)OC1CCCC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.47
GRIK2 Q13002 2/20 0.47
CYP2C19 P33261 1/20 0.46
NAAA Q02083 2/20 0.42
HTT P42858 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
GRIK3 Q13003 1/20 0.40
GRIK5 Q16478 1/20 0.40
CYP19A1 P11511 2/20 0.39
GRM1 Q13255 1/20 0.38
GRM2 Q14416 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
GRIN2D O15399 5/20 0.37
GRIN3B O60391 5/20 0.37
GRIN1 Q05586 5/20 0.37
GRIN2A Q12879 5/20 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
SCHEMBL2200901 0.98 GRIK1 (0.49) GRIK1GRIK2CYP2C19NAAAHTT
SCHEMBL25197311 0.98 GRIK1 (0.49) GRIK1GRIK2CYP2C19NAAAHTT
SCHEMBL3450598 0.92 GRIK1 (0.42) GRIK1GRIK2CYP2C19GRIA1GRIA2
SCHEMBL23883371 0.86 GRIK1 (0.42) GRIK1GRIK2CYP2C19NAAAHTT
Hydrochloric Acid SCHEMBL30921689 0.85 CYP2C19 (0.46) GRIK1GRIK2CYP2C19NAAAHTT
SCHEMBL6535845 0.85 CYP2C19 (0.50) GRIK1GRIK2CYP2C19NAAAHTT
SCHEMBL9503510 0.82 NAAA (0.47) GRIK1GRIK2CYP2C19NAAAHTT
Hydrochloric Acid SCHEMBL30939844 0.81 CYP2C19 (0.42) CYP2C19NAAAHTTCYP19A1L3MBTL1
SCHEMBL1845737 0.81 NAAA (0.49) GRIK1GRIK2CYP2C19NAAAHTT
SCHEMBL18071166 0.81 NAAA (0.49) GRIK1GRIK2CYP2C19NAAAHTT

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
EP-0138416-B1 GROWTH HORMONE RELEASE FACTOR ANALOGS ELI LILLY AND COMPANY (US) 1993-04-28 EP disclosed
US-4617149-A ANIMAL GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1986-10-14 US disclosed