SCHEMBL5378753

SCHEMBL5378753

COc1ccc(CNCC(O)CNC(=O)c2ccc3[nH]c(N4CCC(Cc5ccccc5)CC4)cc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
ACHE P22303 1/20 0.43
CCR3 P51677 1/20 0.43
NPC1 O15118 1/20 0.43
MCHR1 Q99705 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5365749 0.93 SLC6A2 (0.45) SLC6A2SLC6A4MEN1KMT2AGRIN1
SCHEMBL5378033 0.86 SLC6A2 (0.45) SLC6A2SLC6A4MEN1KMT2AGRIN1
SCHEMBL5365730 0.85 BCHE (0.46) SLC6A2SLC6A4MEN1KMT2AGRIN1
SCHEMBL5378747 0.82 SLC6A2 (0.51) SLC6A2SLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL7373279 0.80 SLC6A2 (0.51) SLC6A2SLC6A4MEN1KMT2AGRIN1
SCHEMBL7369193 0.79 CHRM2 (0.51) SLC6A2SLC6A4MEN1KMT2AGRIN1
SCHEMBL7376190 0.78 SCN9A (0.55) SLC6A2SLC6A4MEN1KMT2AGRIN1
SCHEMBL5367998 0.78 MEN1 (0.52) SLC6A2SLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL7368866 0.76 GPR84 (0.44) SLC6A2SLC6A4MEN1KMT2AGRIN1
SCHEMBL5735093 0.76 HDAC6 (0.49) SLC6A2SLC6A4MEN1KMT2AGRIN1

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