SCHEMBL19688878

SCHEMBL19688878

CC1(O)CCC(=O)C(NC(=O)OC(C)(C)C)(c2ccccc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 4/20 0.44
▸ GRIN2A Q12879 4/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ GRIN2D O15399 2/20 0.44
▸ GRIN3B O60391 2/20 0.44
▸ GRIN2B Q13224 2/20 0.44
▸ GRIN2C Q14957 2/20 0.44
▸ GRIN3A Q8TCU5 2/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ SCN9A Q15858 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ MAPK10 P53779 1/20 0.34
▸ HDAC4 P56524 1/20 0.34

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
SCHEMBL21452233 0.88 GRIN1 (0.55) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL30308901 0.86 GRIN1 (0.61) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL30308938 0.86 GRIN1 (0.61) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL19400501 0.86 GRIN1 (0.61) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL19688879 0.86 GRIN1 (0.61) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL19400462 0.86 GRIN1 (0.61) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL21451995 0.85 GRIN1 (0.60) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL26552646 0.79 GRIN1 (0.40) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL21452591 0.79 GRIN1 (0.43) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL26186990 0.79 GRIN1 (0.40) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B

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-3463323-B1 SOLID ORAL DOSAGE FORMS OF 2R,6R-HYDROXYNORKETAMINE OR DERIVATIVES THEREOF SMALL PHARMA LTD (GB) 2021-10-20 — — EP disclosed
WO-2017208031-A1 SOLID ORAL DOSAGE FORMS OF 2R,6R-HYDROXYNORKETAMINE OR DERIVATIVES THEREOF SMALL PHARMA LTD (GB) 2017-12-07 — — WO disclosed
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