SCHEMBL2738682

SCHEMBL2738682

CC(C)(C)CNCC(C(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
FFAR2 O15552 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
CNR2 P34972 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 2/20 0.36
BRD4 O60885 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL684323 0.87 BRD4 (0.44) SLC6A4SLC6A3FFAR2L3MBTL1POLB
SCHEMBL2738565 0.85 AKT1 (0.43) SLC6A4SLC6A3FFAR2L3MBTL1CNR2
SCHEMBL680697 0.84 FFAR2 (0.41) SLC6A4SLC6A3FFAR2L3MBTL1POLB
SCHEMBL10257267 0.83 FFAR2 (0.41) SLC6A4SLC6A3FFAR2L3MBTL1CNR2
SCHEMBL8217387 0.82 CNR2 (0.43) SLC6A4SLC6A3L3MBTL1CNR2POLB
SCHEMBL2738577 0.82 CNR2 (0.43) SLC6A4SLC6A3L3MBTL1CNR2POLB
SCHEMBL2738487 0.82 CNR2 (0.43) SLC6A4SLC6A3L3MBTL1CNR2POLB
SCHEMBL12194476 0.81 FFAR2 (0.38) SLC6A4SLC6A3FFAR2L3MBTL1CNR2
SCHEMBL2738877 0.78 SLC6A4 (0.48) SLC6A4SLC6A3FFAR2L3MBTL1CNR2
SCHEMBL2738478 0.78 AKT1 (0.42) FFAR2L3MBTL1CNR2MEN1CYP2D6

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-2402325-A2 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors Array Biopharma, Inc. (US) 2012-01-04 EP disclosed
EP-2399909-A1 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as akt protein kinase inhibitors Array Biopharma, Inc. (US) 2011-12-28 EP disclosed