SCHEMBL5792395

SCHEMBL5792395

COc1c(Br)ccc(-c2ccccc2)c1CCc1c(Cl)cccc1C1=NCCN1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.59
▸ NISCH Q9Y2I1 4/20 0.45
▸ MC4R P32245 1/20 0.45
▸ CD274 Q9NZQ7 10/20 0.43
▸ PDCD1LG2 Q9BQ51 9/20 0.43
▸ PDCD1 Q15116 1/20 0.39
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL4818042 0.79 KCNH2 (0.58) KCNH2NISCHMC4R
SCHEMBL4823049 0.77 KCNH2 (0.57) KCNH2NISCHMC4RCD274PDCD1
SCHEMBL4823684 0.76 KCNH2 (0.75) KCNH2NISCHMC4RCD274PDCD1LG2
SCHEMBL4822652 0.76 KCNH2 (0.73) KCNH2NISCHMC4RCD274PDCD1LG2
SCHEMBL4822543 0.75 KCNH2 (0.82) KCNH2MC4RCD274PDCD1LG2
SCHEMBL4823295 0.75 KCNH2 (0.53) KCNH2NISCHMC4RMAOAMAOB
SCHEMBL4071377 0.74 KCNH2 (1.00) KCNH2MC4R
SCHEMBL4819225 0.72 KCNH2 (0.73) KCNH2NISCHMC4RMAOAMAOB
SCHEMBL4817708 0.72 KCNH2 (0.69) KCNH2NISCHMC4RMAOAMAOB
SCHEMBL4824330 0.71 KCNH2 (0.68) KCNH2NISCHMC4RMAOAMAOB

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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