SCHEMBL6667593

SCHEMBL6667593

CC(NC1CC1)c1cn[nH]c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ROCK2 O75116 2/20 0.33
KCNH2 Q12809 1/20 0.33
CD38 P28907 1/20 0.33
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
PMP22 Q01453 1/20 0.32
ACACB O00763 2/20 0.31
LATS1 O95835 1/20 0.31
JAK1 P23458 2/20 0.30
MPO P05164 1/20 0.30

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
SCHEMBL6671851 0.75 AKT1 (0.45) AKT1ROCK2KCNH2LMNAAPEX1
SCHEMBL2264128 0.70 AKT1 (0.39) AKT1ROCK2KCNH2LMNAAPEX1
SCHEMBL7992287 0.70
SCHEMBL84454 0.69
SCHEMBL8175926 0.69 KCNH2 (0.34) AKT1ROCK2KCNH2LMNAAPEX1
SCHEMBL2265178 0.69 GAA (0.34) AKT1GAAL3MBTL1
SCHEMBL6583550 0.68 GAA (0.56) GAAL3MBTL1
SCHEMBL6344963 0.68
Hydrochloric Acid SCHEMBL20897673 0.68
SCHEMBL664938 0.67 GAA (0.85) GAAL3MBTL1KCNH2LMNA

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
EP-1324985-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2004-10-06 EP disclosed
EP-1324985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2003-07-09 EP disclosed
WO-2002028831-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-04-11 WO disclosed