SCHEMBL4456538

SCHEMBL4456538

CCN1CC(Nc2ccc(C#N)c(Cl)c2)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.51
KCNH2 Q12809 1/20 0.49
AR P10275 5/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RORC P51449 6/20 0.43
DPP4 P27487 3/20 0.41

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
SCHEMBL3024923 1.00 PGR (0.51) PGRKCNH2ARHDAC8HDAC6
SCHEMBL3024408 0.91 PGR (0.51) PGRKCNH2ARHDAC8HDAC6
SCHEMBL3031987 0.88 AR (0.43) PGRKCNH2ARHDAC8HDAC6
SCHEMBL3032968 0.86 HDAC8 (0.43) PGRARHDAC8HDAC6DPP4
SCHEMBL4462363 0.86 HDAC8 (0.43) PGRARHDAC8HDAC6DPP4
SCHEMBL3025089 0.85 TNF (0.47) PGRARHDAC8HDAC6DPP4
SCHEMBL3028354 0.85 HDAC8 (0.42) PGRKCNH2ARHDAC8HDAC6
SCHEMBL3029493 0.84 PGR (0.48) PGRKCNH2ARHDAC8HDAC6
SCHEMBL4453837 0.84 PGR (0.48) PGRKCNH2ARHDAC8HDAC6
SCHEMBL3032986 0.83 PGR (0.42) PGRARHDAC8HDAC6RORC

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