SCHEMBL7745141

SCHEMBL7745141

CC(NC(=O)C(C#N)C1(C)CCCC1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RPS6KB1 P23443 3/20 0.42
PRCP P42785 2/20 0.42
ALDH1A1 P00352 2/20 0.40
IDO1 P14902 1/20 0.38
MAPK1 P28482 1/20 0.37
GRIN2B Q13224 1/20 0.37
ROCK2 O75116 3/20 0.37
AKT1 P31749 3/20 0.37
AKT2 P31751 3/20 0.37
KCNH2 Q12809 3/20 0.37
AKT3 Q9Y243 3/20 0.37
FFAR2 O15552 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
SCHEMBL7747996 0.86 GAA (0.46) GAAHPGDSMN1; SMN2RPS6KB1PRCP
SCHEMBL7745786 0.84 GAA (0.44) GAAHPGDSMN1; SMN2RPS6KB1PRCP
SCHEMBL7745153 0.83 GAA (0.43) GAAHPGDSMN1; SMN2RPS6KB1PRCP
SCHEMBL7740575 0.83 MEN1 (0.48) GAAALDH1A1
SCHEMBL7057533 0.73 GAA (0.54) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL19652081 0.71 GAA (0.57) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL7748004 0.71 MEN1 (0.47) GAAALDH1A1
SCHEMBL9057875 0.70 PRCP (0.45) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL7745756 0.69 MEN1 (0.46) GAAALDH1A1
SCHEMBL13913572 0.69 GAA (0.54) GAAHPGDSMN1; SMN2PRCPALDH1A1

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-2001014322-A1 CYCLOALKYLALKANE CARBOXYLIC ACID AMIDES, THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-03-01 WO disclosed