SCHEMBL7777182

SCHEMBL7777182

CCN1CCN(c2nc(-c3ccc(OC(C)O)c(C#N)c3)cc3ccccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PKN2 Q16513 1/20 0.39
MTOR P42345 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PIK3CA P42336 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
Hydrochloric Acid SCHEMBL7775540 0.99 XDH (0.39) XDHROCK2ROCK1PKN2MTOR
SCHEMBL4763273 0.86 XDH (0.40) XDHROCK2ROCK1PKN2MTOR
Hydrochloric Acid SCHEMBL7775541 0.86 XDH (0.40) XDHROCK2ROCK1PKN2MTOR
SCHEMBL7777238 0.83 SMN1; SMN2 (0.42) ROCK2ROCK1PKN2SMN1; SMN2LMNA
SCHEMBL4771708 0.80 PRMT5 (0.40) XDHSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL4765256 0.80 ROCK2 (0.47) ROCK2ROCK1PKN2SMN1; SMN2LMNA
SCHEMBL6288953 0.79 ROCK2 (0.39) ROCK2ROCK1PKN2MTORSMN1; SMN2
Hydrochloric Acid SCHEMBL4765945 0.79 TSHR (0.39) ROCK2ROCK1PKN2MTORSMN1; SMN2
Hydrochloric Acid SCHEMBL4771986 0.79 ROCK2 (0.47) ROCK2ROCK1PKN2SMN1; SMN2LMNA
SCHEMBL4768667 0.78 SMN1; SMN2 (0.44) ROCK2ROCK1PKN2SMN1; SMN2LMNA

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-1123702-A1 ANALGESICS Eisai Co., Ltd. (JP) 2001-08-16 EP claimed
EP-1123702-A1 ANALGESICS Eisai Co., Ltd. (JP) 2001-08-16 EP disclosed