SCHEMBL28118949

SCHEMBL28118949

CC12CC3CC(C)(C1)CC([N+](=O)[O-])(C3)C2.CC12CC3CC(C1)CC(C)(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.39
GRIN1 Q05586 6/20 0.38
GRIN2A Q12879 6/20 0.38
GRIN2D O15399 5/20 0.38
GRIN3B O60391 5/20 0.38
GRIN2B Q13224 5/20 0.38
GRIN2C Q14957 5/20 0.38
GRIN3A Q8TCU5 5/20 0.38
LMNA P02545 2/20 0.38
SLC22A1 O15245 1/20 0.38
ESR1 P03372 1/20 0.38
ADRB3 P13945 1/20 0.38
ACHE P22303 1/20 0.38
OPRK1 P41145 1/20 0.38
MTOR P42345 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL1073402 0.93 GRIN1 (0.43) EPHX2GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL5608320 0.91 TSHR (0.39) EPHX2LMNATSHRPGRNPC1
SCHEMBL5608934 0.89 GRIN1 (0.39) EPHX2GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL6228624 0.79 GRIN1 (0.58) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL5608342 0.79 CRHBP (0.36) EPHX2GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL5608457 0.76 CRHBP (0.39) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL5608709 0.76 CRHBP (0.41) CRHBPCRHR2
SCHEMBL733849 0.73 GRIN1 (0.48) EPHX2GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL3190483 0.73 GRIN1 (0.48) EPHX2GRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL6227897 0.72 KMT2A (0.38) EPHX2HTTMEN1KMT2ANPC1

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
CN-106187781-B A kind of preparation method of memantine 江苏红豆杉药业有限公司 2018-07-13 CN disclosed
CN-106187781-A A kind of preparation method of memantine 江苏红豆杉药业有限公司 2016-12-07 CN disclosed