SCHEMBL3717552

SCHEMBL3717552

CC(C)C1C2CC3CC(C2)CC1(C(C)C)C3

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.37
SLC47A1 Q96FL8 1/20 0.37
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.34
GRIN2D O15399 3/20 0.31
GRIN3B O60391 3/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2A Q12879 3/20 0.31
GRIN2B Q13224 3/20 0.31
GRIN2C Q14957 3/20 0.31
GRIN3A Q8TCU5 3/20 0.31

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
SCHEMBL15092039 0.74 SLC22A2 (0.41) SLC22A2SLC47A1MAPTEPHX2GRIN2D
SCHEMBL677012 0.74 EPHX2 (0.38) SLC22A2SLC47A1MAPTEPHX2GRIN2D
SCHEMBL16387224 0.74 SLC22A2 (0.37) SLC22A2SLC47A1MAPTEPHX2GRIN2D
SCHEMBL5826989 0.71 SLC22A2 (0.48) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL6031488 0.65
SCHEMBL455611 0.63 SLC22A2 (0.62) SLC22A2SLC47A1MAPTEPHX2GRIN2D
SCHEMBL138375 0.63 SLC22A2 (0.62) SLC22A2SLC47A1MAPTEPHX2GRIN2D
SCHEMBL17347043 0.60 EPHX2 (0.37) SLC22A2SLC47A1MAPTEPHX2GRIN2D
SCHEMBL23744217 0.59 SLC22A2 (0.39) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL18433666 0.59 SLC22A2 (0.39) SLC22A2SLC47A1MAPTGRIN2DGRIN3B

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
WO-2010095041-A2 COMPOSITIONS, METHODS, AND KITS FOR TREATING INFLUENZA VIRAL INFECTIONS EXCRX (SINGAPORE) PTE.LTD. (SG) 2010-08-26 WO disclosed
EP-1838297-A1 1-AMINOCYCLOHEXANE-DERIVATIVES FOR THE TREATMENT OF MULTIPLE SCLEROSIS EMOTIONAL LABILITY AND PSEUDOBULBAR AFFECT Merz Pharma GmbH & Co. KGaA (DE) 2007-10-03 EP disclosed
WO-2006069294-A1 1-AMINOCYCLOHEXANE-DERIVATIVES FOR THE TREATMENT OF MULTIPLE SCLEROSIS EMOTIONAL LABILITY AND PSEUDOBULBAR AFFECT MERZ PHARMA GMBH & CO. KGAA (DE) 2006-06-29 WO disclosed