SCHEMBL8334755

SCHEMBL8334755

Cc1cccc(N2CCCc3ccccc32)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ROCK1 Q13464 1/20 0.46
NOTUM Q6P988 1/20 0.45
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PTK2 Q05397 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
NUDT1 P36639 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRB1 P08588 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 2/20 0.43

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
SCHEMBL8934707 0.90 SMN1; SMN2 (0.49) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL4809461 0.78 MEN1 (0.57) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL25026229 0.77 ALDH1A1 (0.55) MEN1KMT2ALMNAROCK1NOTUM
SCHEMBL10621398 0.75 ROCK1 (0.54) MEN1KMT2AMAPTLMNAGAA
SCHEMBL11880068 0.75 ROCK1 (0.50) MEN1KMT2AMAPTROCK1NOTUM
SCHEMBL17179753 0.75 SMN1; SMN2 (0.48) MEN1KMT2AMAPTLMNAGAA
SCHEMBL2201933 0.75 SMN1; SMN2 (0.53) MEN1KMT2AMAPTROCK1NOTUM
SCHEMBL8332339 0.75 ROCK1 (0.50) MEN1KMT2ALMNAROCK1NOTUM
SCHEMBL24286724 0.74 ALDH1A1 (0.58) MEN1KMT2AMAPTNPSR1ROCK1
SCHEMBL23864705 0.73 DRD2 (0.47) MAPTROCK1NOTUMJAK2JAK3

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 1 patent. 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 disclosed