SCHEMBL4013095

SCHEMBL4013095

COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCCN1CC=O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.57
MC4R P32245 16/20 0.55

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
SCHEMBL7210955 0.95 KCNH2 (0.59) KCNH2MC4R
SCHEMBL4371129 0.89 KCNH2 (0.61) KCNH2MC4R
SCHEMBL5764947 0.88 KCNH2 (0.54) KCNH2MC4R
SCHEMBL5766700 0.87 KCNH2 (0.58) KCNH2MC4R
SCHEMBL4007603 0.86 KCNH2 (0.63) KCNH2MC4R
SCHEMBL4365701 0.84 KCNH2 (0.63) KCNH2MC4R
SCHEMBL4362699 0.83 KCNH2 (0.58) KCNH2MC4R
SCHEMBL7210899 0.83 KCNH2 (0.56) KCNH2MC4R
SCHEMBL4006989 0.82 MC4R (0.62) KCNH2MC4R
SCHEMBL4813922 0.82 KCNH2 (0.58) KCNH2MC4R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363890-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2003-11-26 EP claimed
WO-2002062766-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-15 WO claimed
WO-2009080351-A1 COMPOUNDS WITH ANTI-EMETIC EFFECT SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-07-02 WO disclosed
EP-1644337-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Gene Logic, Inc. (US) 2006-04-12 EP disclosed
WO-2005121100-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF GENE LOGIC INC. (US) 2005-12-22 WO disclosed
EP-1363890-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2003-11-26 EP disclosed
WO-2002062766-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-15 WO disclosed