SCHEMBL5378029

SCHEMBL5378029

CCCNCC(O)CNC(=O)c1ccc2c(ccn2N2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.47
SLC6A4 P31645 6/20 0.47
HDAC6 Q9UBN7 1/20 0.43
F2 P00734 1/20 0.42
TMEM97 Q5BJF2 2/20 0.41
CCR3 P51677 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL5365744 0.91 SLC6A2 (0.47) SLC6A2SLC6A4HDAC6F2CCR3
SCHEMBL5378543 0.88 BCHE (0.48) SLC6A2SLC6A4HDAC6F2
SCHEMBL5378747 0.86 SLC6A2 (0.51) SLC6A2SLC6A4CCR3MEN1KMT2A
SCHEMBL5369707 0.81 HDAC6 (0.48) SLC6A2SLC6A4HDAC6F2MEN1
SCHEMBL5378033 0.80 SLC6A2 (0.45) SLC6A2SLC6A4HDAC6TMEM97MEN1
SCHEMBL5367994 0.78 MEN1 (0.52) SLC6A2SLC6A4HDAC6F2MEN1
SCHEMBL1064729 0.78 F2 (0.52) F2MEN1KMT2A
SCHEMBL5203573 0.77 F2 (0.57) SLC6A2SLC6A4HDAC6F2MEN1
SCHEMBL5377733 0.71 F2 (0.54) SLC6A2SLC6A4HDAC6F2MEN1
SCHEMBL5365749 0.71 SLC6A2 (0.45) SLC6A2SLC6A4HDAC6MEN1KMT2A

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 2 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