SCHEMBL4584044

SCHEMBL4584044

CN1CCc2cc(C(=O)N3CC(CO)C(NC(=O)Oc4ccc(Cl)s4)C3)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.41
MCHR1 Q99705 7/20 0.36
CCNK O75909 3/20 0.33
CDK12 Q9NYV4 3/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ENPP2 Q13822 1/20 0.31
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 2/20 0.31

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
SCHEMBL4592558 0.89 F10 (0.43) F10MCHR1CCNKCDK12HDAC3
SCHEMBL4433785 0.89 F10 (0.43) F10MCHR1CCNKCDK12HDAC3
SCHEMBL4432476 0.88 F10 (0.42) F10MCHR1CCNKCDK12HDAC3
SCHEMBL8488819 0.87 F10 (0.44) F10
SCHEMBL3307569 0.87 F10 (0.44) F10
SCHEMBL13473889 0.87 F10 (0.44) F10
SCHEMBL4592517 0.86 F10 (0.39) F10MCHR1CCNKCDK12HDAC6
SCHEMBL4583302 0.85 F10 (0.40) F10MCHR1HDAC6
SCHEMBL13372904 0.85 F10 (0.44) F10MCHR1HDAC6
SCHEMBL4583647 0.85 F10 (0.38) F10MCHR1CCNKCDK12HDAC6

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