SCHEMBL4584467

SCHEMBL4584467

CN1CCc2ccc(C(=O)N3CCC(NC(=O)Oc4ccc(Br)s4)C3)cc2CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNK O75909 5/20 0.40
CDK12 Q9NYV4 5/20 0.40
KDM5A P29375 4/20 0.38
MCHR1 Q99705 1/20 0.36
F10 P00742 1/20 0.36
PDK2 Q15119 1/20 0.36
HDAC6 Q9UBN7 5/20 0.36
PDE4B Q07343 1/20 0.36
NAMPT P43490 1/20 0.35
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL4583904 0.97 CCNK (0.42) CCNKCDK12KDM5AMCHR1F10
SCHEMBL4583390 0.89 CCNK (0.43) CCNKCDK12KDM5AMCHR1F10
SCHEMBL4583666 0.89 CCNK (0.43) CCNKCDK12KDM5AMCHR1F10
SCHEMBL4584030 0.89 CCNK (0.43) CCNKCDK12KDM5AMCHR1F10
SCHEMBL4582426 0.86 CCNK (0.46) CCNKCDK12KDM5AMCHR1F10
SCHEMBL4584327 0.86 CCNK (0.46) CCNKCDK12KDM5AMCHR1F10
SCHEMBL4584897 0.86 CCNK (0.46) CCNKCDK12KDM5AMCHR1F10
SCHEMBL4582199 0.85 CCNK (0.46) CCNKCDK12KDM5AMCHR1F10
SCHEMBL3306214 0.85 ALDH1A1 (0.47) CCNKCDK12KDM5AF10HDAC6
SCHEMBL4582991 0.84 CCNK (0.42) CCNKCDK12KDM5AMCHR1F10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP disclosed