SCHEMBL5365744

SCHEMBL5365744

O=C(NCC(O)CNCc1ccccc1)c1ccc2c(ccn2N2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.47
SLC6A4 P31645 5/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
F2 P00734 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MCHR1 Q99705 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ACHE P22303 1/20 0.41
CCR3 P51677 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5378747 0.93 SLC6A2 (0.51) SLC6A2SLC6A4MEN1KMT2AMCHR1
SCHEMBL5378543 0.91 BCHE (0.48) SLC6A2SLC6A4F2HDAC6ACHE
SCHEMBL5378029 0.91 SLC6A2 (0.47) SLC6A2SLC6A4MEN1KMT2AF2
SCHEMBL5367994 0.84 MEN1 (0.52) SLC6A2SLC6A4MEN1KMT2AF2
SCHEMBL5365749 0.79 SLC6A2 (0.45) SLC6A2SLC6A4MEN1KMT2AHDAC6
SCHEMBL5369707 0.79 HDAC6 (0.48) SLC6A2SLC6A4MEN1KMT2AF2
SCHEMBL5203573 0.79 F2 (0.57) SLC6A2SLC6A4MEN1KMT2AF2
SCHEMBL1063477 0.77 ALDH1A1 (0.56) MEN1KMT2AF2MCHR1KDM4E
SCHEMBL5378753 0.74 SLC6A2 (0.49) SLC6A2SLC6A4MEN1KMT2AMCHR1
SCHEMBL1062782 0.72 ALDH1A1 (0.50) SLC6A2SLC6A4MEN1KMT2AF2

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
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US claimed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP claimed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP claimed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 WO claimed