SCHEMBL5378474

SCHEMBL5378474

O=C(NC1CC(Cc2ccccc2)CCN1Cc1ccncc1)c1ccc2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
HTR4 Q13639 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MAPK14 Q16539 2/20 0.46
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRNA7 P36544 1/20 0.42
GRIN1 Q05586 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
SCHEMBL5373032 0.87 ACHE (0.46) ACHEHTR4SIGMAR1MAPK14ROCK2
SCHEMBL5369588 0.82 ACHE (0.49) ACHEHTR4SIGMAR1MAPK14ROCK2
SCHEMBL5371606 0.80 ACHE (0.48) ACHEHTR4SIGMAR1MAPK14ROCK2
SCHEMBL5378359 0.79 PRMT5 (0.45) ACHEHTR4SIGMAR1MAPK14ROCK2
SCHEMBL5377846 0.76 ACHE (0.53) ACHEHTR4SIGMAR1MAPK14SMYD3
Decarboxylated Derivative SCHEMBL5382960 0.76 PRMT5 (0.42) ACHEHTR4SIGMAR1MAPK14SMYD3
SCHEMBL5374680 0.75 ACHE (0.56) ACHEHTR4SIGMAR1MAPK14SMYD3
SCHEMBL5377656 0.75 ACHE (0.44) ACHEHTR4SIGMAR1MAPK14SMYD3
SCHEMBL1063008 0.72 MAPK14 (0.69) ACHEHTR4SIGMAR1MAPK14CHRM2
SCHEMBL1059207 0.71 MAPK14 (0.61) ACHEHTR4SIGMAR1MAPK14CHRM2

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