SCHEMBL5249332

SCHEMBL5249332

C[C@]1(C2CCCCC2)C2CC3C[C@@H](C2)CC1(N)C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.34
LMNA P02545 2/20 0.34
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
STAT6 P42226 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
SLC47A1 Q96FL8 1/20 0.34
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL11800522 0.78 GRIN2D (0.30) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Bicarbonate SCHEMBL7732730 0.72 EPHX1 (0.35) SIGMAR1TSHRPOLBTHRB
SCHEMBL6860792 0.70 LMNA (0.43) SIGMAR1LMNASLC22A2SLC22A1GRIN2D
Hydrochloric Acid SCHEMBL28004256 0.69 LMNA (0.46) SIGMAR1LMNASLC22A2SLC22A1GRIN2D
SCHEMBL11678107 0.68 SIGMAR1 (0.33) SIGMAR1
SCHEMBL1497426 0.67 LMNA (0.40) SIGMAR1LMNASLC22A2SLC22A1GRIN2D
SCHEMBL11677852 0.65 ALDH1A1 (0.30) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6860339 0.65 LMNA (0.48) SIGMAR1LMNASLC22A2SLC22A1GRIN2D
SCHEMBL15922703 0.65 EPHX1 (0.35) SIGMAR1LMNASLC22A2SLC22A1GRIN2D
SCHEMBL294644 0.65 EPHX1 (0.35) SIGMAR1LMNASLC22A2SLC22A1GRIN2D

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-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