SCHEMBL4411339

SCHEMBL4411339

CCOc1ccc(-c2cccc3[nH]c(OC(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
HTR1A P08908 2/20 0.37
DRD2 P14416 1/20 0.37
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LTA4H P09960 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DYRK1A Q13627 2/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL4410349 0.93 HRH3 (0.42) HTR7HTR1ADRD2HTR6KDM4E
SCHEMBL4396457 0.93 HRH3 (0.42) HTR7HTR1ADRD2HTR6KDM4E
SCHEMBL4551165 0.92 SIGMAR1 (0.40) DRD2KMT2ADYRK1A
SCHEMBL4403425 0.90 DYRK1A (0.37) KDM4EMEN1RAB9AKMT2ANPSR1
SCHEMBL914477 0.87 HTR7 (0.42) HTR7HTR1ADRD2HTR6KDM4E
SCHEMBL4403763 0.85 TLR9 (0.42) HTR7DYRK1AWNT1
SCHEMBL4396992 0.85 KMT2A (0.41) KDM4EMEN1KMT2ADYRK1A
SCHEMBL4398653 0.83 MCHR1 (0.37) KMT2ADYRK1A
SCHEMBL4396412 0.83 NPSR1 (0.36) KDM4EMEN1RAB9AKMT2ANPSR1
SCHEMBL4396410 0.83 L3MBTL1 (0.40) KDM4ERXFP1DYRK1AALDH1A1WNT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed