SCHEMBL5377733

SCHEMBL5377733

CCCNC(=O)Cn1ccc2cc(C(=O)NN3CCC(Cc4ccccc4)CC3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.54
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
HDAC6 Q9UBN7 1/20 0.45
POLB P06746 1/20 0.44
ACHE P22303 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HDAC11 Q96DB2 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL1063053 0.88 F2 (0.60) F2KMT2AMEN1HTTSMN1; SMN2
SCHEMBL5377669 0.79 HDAC6 (0.49) F2SLC6A2SLC6A4HDAC6POLB
SCHEMBL1064732 0.74 F2 (0.56) F2SLC6A2SLC6A4KMT2AMEN1
SCHEMBL5732386 0.73 MAPK11 (0.48) SLC6A2SLC6A4HDAC6POLBACHE
SCHEMBL1062702 0.73 F2 (0.64) F2KMT2AMEN1HTTSMN1; SMN2
SCHEMBL7449374 0.72 CCR3 (0.60) SLC6A2SLC6A4KMT2AMEN1HTT
SCHEMBL1064729 0.71 F2 (0.52) F2KMT2AMEN1HTTSMN1; SMN2
SCHEMBL5378029 0.71 SLC6A2 (0.47) F2SLC6A2SLC6A4HDAC6KMT2A
SCHEMBL5369707 0.71 HDAC6 (0.48) F2SLC6A2SLC6A4HDAC6ACHE
SCHEMBL5374680 0.71 ACHE (0.56) SLC6A2SLC6A4ACHE

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 disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 US disclosed