SCHEMBL3689303

SCHEMBL3689303

CC(C)(C)N(C(=O)O)N1CCC[C@H](CNCc2ccc3c(c2)OCCO3)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
NPY5R Q15761 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
FAAH O00519 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39

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
SCHEMBL3687148 0.83 NPY5R (0.47) KDM4ENPY5RPOLBMAPK1KMT2A
SCHEMBL3697550 0.83 KDM4E (0.44) KDM4EPOLBMAPK1KMT2AMEN1
SCHEMBL14514796 0.78 HTR6 (0.49) KDM4ENPY5RPOLBALDH1A1
SCHEMBL3686840 0.77 KMT2A (0.41) KDM4EKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL5650842 0.73 NPY5R (0.45) KDM4ENPY5RPOLBKMT2AMEN1
SCHEMBL13145817 0.73 ALDH1A1 (0.47) KDM4ENPY5RPOLBKMT2AMEN1
SCHEMBL5651335 0.72 ALKBH5 (0.48) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL5651328 0.71 ALKBH5 (0.48) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL5316579 0.71 NPY5R (0.47) KDM4ENPY5RPOLBKMT2AMEN1
SCHEMBL5650800 0.71 ALKBH5 (0.47) KDM4EALDH1A1HPGDFAAH

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-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
EP-1551829-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2005-07-13 EP disclosed
WO-2004035569-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2004-04-29 WO disclosed