SCHEMBL4440822

SCHEMBL4440822

CCOC(=O)Oc1cc2c(s1)CCN(C)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PARP1 P09874 3/20 0.38
PARP2 Q9UGN5 3/20 0.38
KDM4E B2RXH2 7/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
OPRM1 P35372 2/20 0.37
ABCB11 O95342 1/20 0.37
CHRM2 P08172 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
P2RY12 Q9H244 1/20 0.37
F10 P00742 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 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
SCHEMBL19933106 0.86 MEN1 (0.39) PRMT5WDR77PARP1PARP2KDM4E
SCHEMBL16869983 0.82 ABCB11 (0.49) PRMT5WDR77PARP1PARP2KDM4E
SCHEMBL4440903 0.82 PARP1 (0.41) PRMT5WDR77PARP1PARP2KDM4E
SCHEMBL3310243 0.79 KDM4E (0.48) PRMT5WDR77KDM4EKMT2AALDH1A1
SCHEMBL4582601 0.77 ALDH1A1 (0.38) PRMT5WDR77KDM4EKMT2AALDH1A1
SCHEMBL4431441 0.75 WDR91 (0.41) PARP1PARP2KDM4EKMT2AALDH1A1
SCHEMBL16869982 0.74 MAOA (0.50) PARP1PARP2SLC6A4
SCHEMBL4433208 0.74 ABCB11 (0.36) PRMT5WDR77PARP1PARP2KDM4E
SCHEMBL14141670 0.73 ABCB11 (0.54) PRMT5WDR77KMT2AALDH1A1POLB
SCHEMBL14142328 0.73 ABCB11 (0.63) KDM4EALDH1A1POLBOPRM1ABCB11

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