SCHEMBL5378794

SCHEMBL5378794

COc1ccc(CNC(=O)Cn2c(N3CCC(Cc4ccccc4)CC3)cc3cc(C(N)=O)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
HCRTR1 O43613 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MARK4 Q96L34 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
GFER P55789 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
SCHEMBL5378067 0.84 SLC6A2 (0.45) SLC6A2SLC6A4SMN1; SMN2ACHEMEN1
SCHEMBL5374870 0.82 GAA (0.51) ACHEGAA
SCHEMBL5375990 0.80 GAA (0.51) TSHRACHEKMT2AGAA
SCHEMBL5377672 0.79 HDAC6 (0.49) SLC6A2SLC6A4ACHEMAPTMEN1
SCHEMBL1064732 0.77 F2 (0.56) GRIN1GRIN2BSLC6A2SLC6A4SMN1; SMN2
SCHEMBL5371447 0.77 HDAC6 (0.55) SLC6A2SLC6A4ACHEGAA
SCHEMBL5369137 0.77 GAA (0.47) SMN1; SMN2ACHEMAPTGAAGFER
SCHEMBL31212419 0.76 ACHE (0.67) GRIN1GRIN2BSMN1; SMN2LMNATSHR
SCHEMBL5377677 0.74 GAA (0.50) ACHEGAA
SCHEMBL5374061 0.73 GAA (0.45) GRIN2BSLC6A2SLC6A4ACHEMEN1

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