SCHEMBL4453837

SCHEMBL4453837

CN1CC(Nc2ccc(C#N)c(Cl)c2)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.48
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KCNH2 Q12809 1/20 0.45
AR P10275 6/20 0.44
DPP4 P27487 3/20 0.42
SLC22A12 Q96S37 2/20 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
SCHEMBL3029493 1.00 PGR (0.48) PGRHDAC8HDAC6KCNH2AR
SCHEMBL3024408 0.85 PGR (0.51) PGRHDAC8HDAC6KCNH2AR
SCHEMBL3019921 0.84 PGR (0.50) PGRHDAC8HDAC6ARDPP4
SCHEMBL4456538 0.84 PGR (0.51) PGRHDAC8HDAC6KCNH2AR
SCHEMBL3024923 0.84 PGR (0.51) PGRHDAC8HDAC6KCNH2AR
SCHEMBL27777707 0.83 HDAC8 (0.43) PGRHDAC8HDAC6ARDPP4
SCHEMBL4462363 0.82 HDAC8 (0.43) PGRHDAC8HDAC6ARDPP4
SCHEMBL3032968 0.82 HDAC8 (0.43) PGRHDAC8HDAC6ARDPP4
SCHEMBL3032986 0.82 PGR (0.42) PGRHDAC8HDAC6ARDPP4
SCHEMBL3031987 0.82 AR (0.43) PGRHDAC8HDAC6KCNH2AR

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