SCHEMBL4440743

SCHEMBL4440743

CC(C)(C)OC(=O)ON1CCC(N)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
EPHX1 P07099 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NR1H2 P55055 1/20 0.30
PREP P48147 1/20 0.30

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
SCHEMBL1935995 0.90 CHRM2 (0.34) CTSKHPGDCHRM2CHRM1CHRM3
SCHEMBL27713182 0.84 HRH2 (0.31)
SCHEMBL27720226 0.84 HRH2 (0.31)
SCHEMBL27733586 0.84 HRH2 (0.31)
SCHEMBL16341947 0.81 CHRM1 (0.34) HPGDCHRM2CHRM1CHRM3KDM4E
SCHEMBL14763728 0.81 CHRM2 (0.40) CTSKHPGDCHRM2CHRM1CHRM3
SCHEMBL7284763 0.81 CHRM2 (0.40) CTSKHPGDCHRM2CHRM1CHRM3
SCHEMBL3956896 0.80 NCF1 (0.34) CTSKHPGDCHRM2CHRM1CHRM3
SCHEMBL6954990 0.78 CHRM2 (0.34) CTSKHPGDCHRM2CHRM1CHRM3
SCHEMBL212033 0.77 CHRM2 (0.42) CTSKHPGDCHRM2CHRM1CHRM3

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