SCHEMBL5378747

SCHEMBL5378747

COc1ccc(CNCC(O)CNC(=O)c2ccc3c(ccn3N3CCC(Cc4ccccc4)CC3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
ACHE P22303 1/20 0.44
CCR3 P51677 1/20 0.44
MCHR1 Q99705 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DRD4 P21917 1/20 0.42
LMNA P02545 1/20 0.41

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 0.93 SLC6A2 (0.47) SLC6A2SLC6A4ACHECCR3MCHR1
SCHEMBL5378029 0.86 SLC6A2 (0.47) SLC6A2SLC6A4CCR3MEN1KMT2A
SCHEMBL5378543 0.84 BCHE (0.48) SLC6A2SLC6A4ACHE
SCHEMBL5378753 0.82 SLC6A2 (0.49) SLC6A2SLC6A4SMN1; SMN2ACHECCR3
SCHEMBL1062782 0.81 ALDH1A1 (0.50) SLC6A2SLC6A4SMN1; SMN2MEN1KMT2A
SCHEMBL5367994 0.78 MEN1 (0.52) SLC6A2SLC6A4SMN1; SMN2MCHR1MEN1
SCHEMBL5369707 0.75 HDAC6 (0.48) SLC6A2SLC6A4SMN1; SMN2ACHEMEN1
SCHEMBL5365749 0.74 SLC6A2 (0.45) SLC6A2SLC6A4MCHR1GRIN1GRIN2B
SCHEMBL5203573 0.73 F2 (0.57) SLC6A2SLC6A4ACHEMEN1KMT2A
SCHEMBL1063477 0.73 ALDH1A1 (0.56) SMN1; SMN2MCHR1MEN1KMT2ADRD4

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