SCHEMBL28470733

SCHEMBL28470733

NCCCOC(=O)NC[C@@]1(c2ccccc2Cl)CCCCC1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.53
GRIN2A Q12879 3/20 0.53
GRIN2D O15399 2/20 0.53
GRIN3B O60391 2/20 0.53
GRIN2B Q13224 2/20 0.53
GRIN2C Q14957 2/20 0.53
GRIN3A Q8TCU5 2/20 0.53
SLC6A4 P31645 2/20 0.43
OPRK1 P41145 1/20 0.43
LMNA P02545 1/20 0.43
OPRM1 P35372 1/20 0.43
CACNA1C Q13936 1/20 0.43
HDAC4 P56524 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL31757289 0.88 GRIN1 (0.54) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL31757256 0.85 GRIN1 (0.64) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL29088828 0.85 GRIN1 (0.63) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL29088774 0.85 GRIN1 (0.63) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL29088777 0.84 GRIN1 (0.55) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL29515670 0.81 GRIN1 (0.64) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL21487993 0.81 GRIN1 (0.64) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL21488779 0.81 GRIN1 (0.64) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL28474229 0.81 GRIN1 (0.64) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL25889589 0.81 GRIN1 (0.58) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4681777-A2 PRODRUGS OF KETAMINE, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2026-01-21 EP disclosed
EP-3737665-B1 PRODRUGS OF KETAMINE, COMPOSITIONS AND USES THEREOF XWPHARMA LTD (KY) 2026-01-07 EP disclosed
CN-114805139-A Prodrugs of ketamine, compositions and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2022-07-29 CN disclosed
CN-111836798-B Prodrugs of ketamine, compositions and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2022-04-15 CN disclosed
CN-111836798-A Prodrugs of ketamine, compositions and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2020-10-27 CN disclosed