SCHEMBL5372928

SCHEMBL5372928

COc1cc2[nH]c(N3CCC(Cc4ccc(F)cc4)CC3)cc2cc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTR4 Q13639 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCR3 P51677 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
SCHEMBL5201673 0.91 MEN1 (0.59) MAPK14MEN1KMT2ACYP2C9CYP2C19
SCHEMBL5376292 0.87 MAPK14 (0.46) MAPK14MEN1KMT2ACCR3
SCHEMBL5374169 0.83 MAPK14 (0.42) MAPK14MEN1KMT2A
SCHEMBL5206748 0.79 MAPK14 (0.50) MAPK14MEN1KMT2ACYP2C9CYP2C19
SCHEMBL5378331 0.78 GRIN1 (0.42) MAPK14MEN1KMT2A
SCHEMBL5732819 0.77 MEN1 (0.46) MAPK14MEN1KMT2AHTR4CYP2C9
SCHEMBL5374207 0.77 GPR84 (0.52) MAPK14MEN1KMT2ACYP2C9CYP2C19
SCHEMBL5387265 0.75 GPR84 (0.52) MAPK14MEN1KMT2ACYP2C9CYP2C19
SCHEMBL5374164 0.74 MEN1 (0.55) MAPK14MEN1KMT2ACYP2C9CYP2C19
SCHEMBL7375682 0.74 MEN1 (0.50) MEN1KMT2AHTR4CYP2C9

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 10 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
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