SCHEMBL4433533

SCHEMBL4433533

CN1CCc2cc(C(=O)N3CC(NC(=O)Oc4ccc(Cl)s4)C(OCc4ccccc4)C3)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.38
TMEM97 Q5BJF2 5/20 0.36
SIGMAR1 Q99720 5/20 0.36
HRH3 Q9Y5N1 2/20 0.35
CHRNA7 P36544 2/20 0.34
AXL P30530 2/20 0.34
MERTK Q12866 2/20 0.34
MCHR1 Q99705 2/20 0.34
PKLR P30613 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
RECQL P46063 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA2A P08913 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
SCHEMBL8500031 0.89 F10 (0.45) F10AXLMERTK
SCHEMBL3308348 0.89 F10 (0.45) F10AXLMERTK
SCHEMBL4432476 0.88 F10 (0.42) F10MCHR1HDAC6LMNA
SCHEMBL4583302 0.86 F10 (0.40) F10MCHR1HDAC6
SCHEMBL4583647 0.85 F10 (0.38) F10MCHR1HDAC6LMNA
SCHEMBL4433785 0.84 F10 (0.43) F10MCHR1HDAC6LMNAHPGD
SCHEMBL4592558 0.84 F10 (0.43) F10MCHR1HDAC6LMNAHPGD
SCHEMBL4584044 0.84 F10 (0.41) F10MCHR1HDAC6
SCHEMBL4583790 0.83 SPTLC2 (0.41) F10MCHR1HDAC6
SCHEMBL4592517 0.82 F10 (0.39) F10MCHR1HDAC6LMNA

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