SCHEMBL5378359

SCHEMBL5378359

CCCNCC(O)CN1CCC(Cc2ccccc2)CC1NC(=O)c1ccc2[nH]ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
ACHE P22303 2/20 0.42
HTR4 Q13639 2/20 0.42
CHRM2 P08172 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
KDM5A P29375 1/20 0.39
MAPK14 Q16539 2/20 0.39
CHRNA7 P36544 2/20 0.38
GRIN1 Q05586 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
CCR3 P51677 3/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
Decarboxylated Derivative SCHEMBL5382960 0.86 PRMT5 (0.42) PRMT5WDR77ACHEHTR4CHRM2
SCHEMBL5371606 0.79 ACHE (0.48) PRMT5WDR77ACHEHTR4CHRM2
SCHEMBL5369588 0.79 ACHE (0.49) PRMT5WDR77ACHEHTR4CHRM2
SCHEMBL5378474 0.79 ACHE (0.50) ACHEHTR4CHRM2SIGMAR1SMYD3
SCHEMBL5377656 0.75 ACHE (0.44) PRMT5WDR77ACHEHTR4CHRM2
SCHEMBL5373032 0.74 ACHE (0.46) ACHEHTR4CHRM2SIGMAR1SMYD3
SCHEMBL5378033 0.71 SLC6A2 (0.45) GRIN1SLC6A2SLC6A4HDAC6
SCHEMBL5374680 0.71 ACHE (0.56) ACHEHTR4CHRM2SIGMAR1SMYD3
SCHEMBL5377846 0.70 ACHE (0.53) ACHEHTR4CHRM2SIGMAR1SMYD3
SCHEMBL5378029 0.69 SLC6A2 (0.47) SLC6A2SLC6A4CCR3HDAC6

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 6 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
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP disclosed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 WO disclosed