SCHEMBL4583666

SCHEMBL4583666

CN1CCc2ccc(C(=O)N3CC[C@H](NC(=O)Oc4ccc(Cl)s4)C3)cc2CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNK O75909 6/20 0.43
CDK12 Q9NYV4 6/20 0.43
MCHR1 Q99705 4/20 0.42
F10 P00742 2/20 0.41
KDM5A P29375 4/20 0.38
PDK2 Q15119 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL4584030 1.00 CCNK (0.43) CCNKCDK12MCHR1F10KDM5A
SCHEMBL4583390 1.00 CCNK (0.43) CCNKCDK12MCHR1F10KDM5A
SCHEMBL4584897 0.97 CCNK (0.46) CCNKCDK12MCHR1F10KDM5A
SCHEMBL4582426 0.97 CCNK (0.46) CCNKCDK12MCHR1F10KDM5A
SCHEMBL4584327 0.97 CCNK (0.46) CCNKCDK12MCHR1F10KDM5A
SCHEMBL4582199 0.96 CCNK (0.46) CCNKCDK12MCHR1F10KDM5A
SCHEMBL4584467 0.89 CCNK (0.40) CCNKCDK12MCHR1F10KDM5A
SCHEMBL4583904 0.86 CCNK (0.42) CCNKCDK12MCHR1F10KDM5A
SCHEMBL4592517 0.85 F10 (0.39) CCNKCDK12MCHR1F10
SCHEMBL4440639 0.85 F10 (0.42) F10KDM5A

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-2132193-B1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP disclosed