SCHEMBL5608364

SCHEMBL5608364

CC12CC3CC(N)(C1)CC(O)(C3)C2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.69
GRIN2A Q12879 8/20 0.69
GRIN2D O15399 7/20 0.69
GRIN3B O60391 7/20 0.69
GRIN2B Q13224 7/20 0.69
GRIN2C Q14957 7/20 0.69
GRIN3A Q8TCU5 7/20 0.69
LMNA P02545 4/20 0.69
SLC22A1 O15245 2/20 0.69
NFKB1 P19838 2/20 0.69
ESR1 P03372 1/20 0.69
ADRB3 P13945 1/20 0.69
ACHE P22303 1/20 0.69
OPRK1 P41145 1/20 0.69
MTOR P42345 1/20 0.69
HTT P42858 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69

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
Memantine SCHEMBL28408872 0.83 GRIN1 (0.91) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Memantine SCHEMBL2689 0.83 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL5608589 0.83 GRIN1 (0.90) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Memantine SCHEMBL12959066 0.83 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL25472233 0.83 GRIN1 (0.52) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Memantine SCHEMBL23327176 0.83 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Memantine SCHEMBL13198606 0.83 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Memantine SCHEMBL8126868 0.83 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL986905 0.83 GRIN1 (0.46) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Memantine SCHEMBL2688 0.83 GRIN1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
US-6392104-B1 CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
EP-0927711-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM Daicel Chemical Industries, Ltd. (JP) 1999-07-07 EP disclosed