SCHEMBL5793349

SCHEMBL5793349

COc1ccc(Br)cc1CCc1c(Cl)cccc1CNC1=NCCN1.COc1ccccc1CCc1c(Cl)cccc1CNC1=NCCN1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.64
▸ MC4R P32245 12/20 0.52
▸ WDR5 P61964 5/20 0.46

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
SCHEMBL4816195 0.97 KCNH2 (0.67) KCNH2MC4RWDR5
SCHEMBL4823054 0.92 KCNH2 (0.50) KCNH2WDR5
SCHEMBL4071377 0.78 KCNH2 (1.00) KCNH2MC4R
SCHEMBL7210824 0.78 KCNH2 (0.66) KCNH2MC4R
SCHEMBL4825430 0.77 KCNH2 (0.76) KCNH2MC4R
SCHEMBL6670018 0.77 LMNA (0.54) WDR5
SCHEMBL7210928 0.74 KCNH2 (0.65) KCNH2MC4R
SCHEMBL4822543 0.73 KCNH2 (0.82) KCNH2MC4R
SCHEMBL4822793 0.73 MC4R (0.67) KCNH2MC4R
SCHEMBL4009351 0.73 KCNH2 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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