SCHEMBL4013340

SCHEMBL4013340

COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCN1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.60
MC4R P32245 16/20 0.55
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL4360157 0.93 KCNH2 (0.60) KCNH2MC4RLMNAHPGD
SCHEMBL4367419 0.90 KCNH2 (0.57) KCNH2MC4R
SCHEMBL4154911 0.90 KCNH2 (0.57) KCNH2MC4RLMNAHPGD
SCHEMBL4365732 0.89 KCNH2 (0.56) KCNH2MC4RLMNAHPGD
SCHEMBL4813922 0.88 KCNH2 (0.58) KCNH2MC4RLMNAHPGD
SCHEMBL4362699 0.88 KCNH2 (0.58) KCNH2MC4RLMNAHPGD
SCHEMBL4361770 0.87 KCNH2 (0.54) KCNH2MC4RLMNAHPGD
SCHEMBL4363697 0.86 KCNH2 (0.65) KCNH2MC4R
SCHEMBL4364684 0.85 KCNH2 (0.56) KCNH2MC4RLMNAHPGD
SCHEMBL14181902 0.84 KCNH2 (0.61) 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