SCHEMBL4746913

SCHEMBL4746913

Cc1ccc(N)c(NC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.52
HDAC1 Q13547 3/20 0.52
GPR119 Q8TDV5 3/20 0.43
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H2 P55055 1/20 0.40
EPHX2 P34913 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
NAMPT P43490 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39

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
SCHEMBL4749627 0.84 MAPT (0.47) HDAC2HDAC1GPR119KMT2ALMNA
SCHEMBL4746323 0.83 HDAC1 (0.40) HDAC2HDAC1
SCHEMBL606031 0.79 ALDH1A1 (0.55) HDAC2HDAC1GPR119KMT2ALMNA
SCHEMBL4566835 0.75 SMARCA2 (0.54) GPR119KMT2ALMNACYP2C19MEN1
SCHEMBL31170973 0.75 POLB (0.50) HDAC2HDAC1GPR119PIK3CDPIK3R1
SCHEMBL29124518 0.75 POLB (0.50) HDAC2HDAC1GPR119PIK3CDPIK3R1
SCHEMBL4746151 0.75 HDAC1 (0.50) HDAC2HDAC1GPR119KMT2ALMNA
SCHEMBL27029906 0.75 NAMPT (0.43) HDAC2HDAC1GPR119KMT2AMEN1
SCHEMBL2596267 0.74 HDAC2 (0.56) HDAC2HDAC1KMT2ALMNANPSR1
SCHEMBL26442434 0.74 GPR119 (0.47) HDAC2HDAC1GPR119KMT2ACYP2C19

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-2008119718-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed