SCHEMBL4464249

SCHEMBL4464249

CN1CC(OC(=O)NC(C)(C)C)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.45
CCNE1 P24864 4/20 0.33
CDK2 P24941 4/20 0.33
DPP4 P27487 2/20 0.32
GSK3B P49841 1/20 0.32
POLB P06746 1/20 0.32
MAP4K1 Q92918 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL26621648 0.82 BRD4 (0.43) BRD4POLBSMN1; SMN2
SCHEMBL793001 0.77 BRD4 (0.54) BRD4SMN1; SMN2
SCHEMBL17294389 0.76 BRD4 (0.49) BRD4POLB
SCHEMBL21026694 0.76 BRD4 (0.49) BRD4POLB
SCHEMBL25595757 0.76 CHRM4 (0.40) CCNE1CDK2DPP4GSK3BSMN1; SMN2
SCHEMBL688823 0.76 BRD4 (0.49) BRD4POLBSMN1; SMN2
SCHEMBL18472043 0.76 BRD4 (0.49) BRD4POLB
SCHEMBL14856811 0.76 BRD4 (0.49) BRD4POLBSMN1; SMN2
SCHEMBL27771663 0.76 GBA1 (0.34) CCNE1CDK2DPP4GSK3BSMN1; SMN2
SCHEMBL21872654 0.75 BRD4 (0.47) BRD4SMN1; SMN2

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-2049104-A2 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
WO-2008021796-A2 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed