SCHEMBL4432476

SCHEMBL4432476

COC1CN(C(=O)c2ccc3c(c2)CCN(C)C3)CC1NC(=O)Oc1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.42
MCHR1 Q99705 3/20 0.35
CCNK O75909 3/20 0.33
CDK12 Q9NYV4 3/20 0.33
MAPK1 P28482 1/20 0.33
PRMT5 O14744 3/20 0.33
WDR77 Q9BQA1 3/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL4583647 0.97 F10 (0.38) F10MCHR1CCNKCDK12MAPK1
SCHEMBL4592558 0.90 F10 (0.43) F10MCHR1CCNKCDK12MAPK1
SCHEMBL4433785 0.90 F10 (0.43) F10MCHR1CCNKCDK12MAPK1
SCHEMBL4433533 0.88 F10 (0.38) F10MCHR1LMNAHDAC6
SCHEMBL4584044 0.88 F10 (0.41) F10MCHR1CCNKCDK12PRMT5
SCHEMBL8502118 0.87 F10 (0.44) F10MAPK1LMNA
SCHEMBL3305811 0.87 F10 (0.44) F10MAPK1LMNA
SCHEMBL4592517 0.87 F10 (0.39) F10MCHR1CCNKCDK12MAPK1
SCHEMBL4583302 0.86 F10 (0.40) F10MCHR1HDAC6
SCHEMBL4583142 0.85 F10 (0.44) F10MCHR1PRMT5WDR77MAPT

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