SCHEMBL4435735

SCHEMBL4435735

C#Cc1ccc(OC(=O)N[C@@H]2CCN(C(=O)c3ccc4c(c3)CCN(C)C4)C2)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNK O75909 4/20 0.40
CDK12 Q9NYV4 4/20 0.40
F10 P00742 1/20 0.39
KDM5A P29375 2/20 0.35
PDK2 Q15119 1/20 0.35
NAMPT P43490 2/20 0.35
BRD4 O60885 1/20 0.34
HDAC6 Q9UBN7 4/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM1A O60341 1/20 0.34
MCHR1 Q99705 1/20 0.34
PDE4B Q07343 1/20 0.33

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
SCHEMBL4584327 0.87 CCNK (0.46) CCNKCDK12F10KDM5APDK2
SCHEMBL4583904 0.87 CCNK (0.42) CCNKCDK12F10KDM5APDK2
SCHEMBL4584897 0.87 CCNK (0.46) CCNKCDK12F10KDM5APDK2
SCHEMBL4582426 0.87 CCNK (0.46) CCNKCDK12F10KDM5APDK2
SCHEMBL3311836 0.86 F10 (0.42) CCNKCDK12F10KDM5APDK2
SCHEMBL4582199 0.84 CCNK (0.46) CCNKCDK12F10KDM5APDK2
SCHEMBL4583666 0.84 CCNK (0.43) CCNKCDK12F10KDM5APDK2
SCHEMBL4584467 0.84 CCNK (0.40) CCNKCDK12F10KDM5APDK2
SCHEMBL4583390 0.84 CCNK (0.43) CCNKCDK12F10KDM5APDK2
SCHEMBL4584030 0.84 CCNK (0.43) CCNKCDK12F10KDM5APDK2

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 4 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-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 EP disclosed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 WO disclosed
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP disclosed