SCHEMBL5768686

SCHEMBL5768686

COc1ccc(Br)cc1CCc1c(Cl)cccc1C1(CC(C)C#N)NCCN1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.50
▸ MC4R P32245 15/20 0.48
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL5767776 0.85 KCNH2 (0.52) KCNH2MC4RLMNAHPGD
SCHEMBL5766784 0.85 KCNH2 (0.52) KCNH2MC4RLMNAHPGD
SCHEMBL5766403 0.82 KCNH2 (0.50) KCNH2MC4RLMNAHPGD
SCHEMBL7206481 0.81 KCNH2 (0.53) KCNH2MC4R
SCHEMBL5766154 0.81 KCNH2 (0.53) KCNH2MC4RLMNAHPGD
SCHEMBL7206492 0.81 KCNH2 (0.58) KCNH2MC4RLMNAHPGD
SCHEMBL5767273 0.81 MC4R (0.53) KCNH2MC4RLMNAHPGD
SCHEMBL5767311 0.80 KCNH2 (0.50) KCNH2MC4RLMNAHPGD
SCHEMBL5763829 0.79 KCNH2 (0.50) KCNH2MC4RLMNAHPGD
SCHEMBL5767468 0.77 KCNH2 (0.48) 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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