SCHEMBL4462363

SCHEMBL4462363

COCCN1CC(Nc2ccc(C#N)c(Cl)c2)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PGR P06401 6/20 0.41
PLA2G7 Q13093 2/20 0.40
AR P10275 5/20 0.40
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
DPP4 P27487 2/20 0.38

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
SCHEMBL3032968 1.00 HDAC8 (0.43) HDAC8HDAC6PGRPLA2G7AR
SCHEMBL3024408 0.88 PGR (0.51) HDAC8HDAC6PGRARDPP4
SCHEMBL3024923 0.86 PGR (0.51) HDAC8HDAC6PGRARDPP4
SCHEMBL4456538 0.86 PGR (0.51) HDAC8HDAC6PGRARDPP4
SCHEMBL12345103 0.84 FPR1 (0.41) HDAC8HDAC6FPR1FPR2
SCHEMBL3031987 0.83 AR (0.43) HDAC8HDAC6PGRARDPP4
SCHEMBL3029493 0.82 PGR (0.48) HDAC8HDAC6PGRARDPP4
SCHEMBL4453837 0.82 PGR (0.48) HDAC8HDAC6PGRARDPP4
SCHEMBL3028354 0.81 HDAC8 (0.42) HDAC8HDAC6PGRARDPP4
SCHEMBL3025089 0.81 TNF (0.47) HDAC8HDAC6PGRARDPP4

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