SCHEMBL8329442

SCHEMBL8329442

CCc1cccc(N(C(=Nc2cccc3c2CCC3)NC(C)C)C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.39
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL6717422 0.85 SIGMAR1 (0.49) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL8334405 0.82 SIGMAR1 (0.39) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL9438468 0.81 SIGMAR1 (0.56) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL9438422 0.81 SIGMAR1 (0.59) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8401661 0.79 SIGMAR1 (0.51) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8329446 0.79 LMNA (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8334142 0.78 SIGMAR1 (0.43) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6717077 0.75 SIGMAR1 (0.63) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6717417 0.75 LMNA (0.43) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6724971 0.74 SIGMAR1 (0.62) SIGMAR1TP53CYP2D6TSHRTHPO

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO claimed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed