SCHEMBL15049048

SCHEMBL15049048

COc1ccc(CCOC(=O)[C@@H]2CCCCN2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
FKBP1A P62942 5/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EPHX1 P07099 1/20 0.50
APOBEC3A P31941 1/20 0.44
HTT P42858 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
SLC6A4 P31645 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
APP P05067 1/20 0.43

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
SCHEMBL15049047 1.00 KDM4E (0.55) KDM4EFKBP1AMEN1KMT2AEPHX1
SCHEMBL21241611 0.87 FKBP1A (0.49) KDM4EFKBP1AMEN1KMT2A
SCHEMBL22861528 0.87 FKBP1A (0.49) KDM4EFKBP1AMEN1KMT2A
SCHEMBL14920847 0.85 FKBP1A (0.52) KDM4EFKBP1AMEN1KMT2AEPHX1
SCHEMBL15048986 0.85 FKBP1A (0.52) KDM4EFKBP1AMEN1KMT2AEPHX1
SCHEMBL10350287 0.82 KDM4E (0.61) KDM4EMEN1KMT2AEPHX1HTT
SCHEMBL22861533 0.81 FKBP1A (0.53) KDM4EFKBP1A
SCHEMBL21241612 0.81 FKBP1A (0.53) KDM4EFKBP1A
SCHEMBL21540592 0.78 KDM4E (0.76) KDM4EMEN1KMT2AEPHX1HTT
SCHEMBL22861532 0.77 L3MBTL1 (0.47) KDM4EMEN1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794566-A1 PIPECOLATE-DIKETOAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-10-29 EP disclosed
WO-2013091900-A1 PIPECOLATE-DIKETOAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-06-27 WO disclosed
EP-2607352-A1 Pipecolate-diketoamides for treatment of psychiatric disorders Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-06-26 EP disclosed