SCHEMBL5767273

SCHEMBL5767273

COc1ccc(Br)cc1CCc1c(Cl)cccc1C1(CC(=O)O)NCCN1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 14/20 0.53
▸ KCNH2 Q12809 2/20 0.53
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5766154 0.86 KCNH2 (0.53) MC4RKCNH2LMNAHPGDPKM
SCHEMBL7206481 0.86 KCNH2 (0.53) MC4RKCNH2PKM
SCHEMBL7206492 0.83 KCNH2 (0.58) MC4RKCNH2LMNAHPGD
SCHEMBL5763829 0.83 KCNH2 (0.50) MC4RKCNH2LMNAHPGDPKM
SCHEMBL5766784 0.82 KCNH2 (0.52) MC4RKCNH2LMNAHPGD
SCHEMBL5768686 0.81 KCNH2 (0.50) MC4RKCNH2LMNAHPGD
SCHEMBL5767776 0.77 KCNH2 (0.52) MC4RKCNH2LMNAHPGD
SCHEMBL4067065 0.75 KCNH2 (0.56) MC4RKCNH2LMNAHPGD
SCHEMBL5767311 0.75 KCNH2 (0.50) MC4RKCNH2LMNAHPGD
SCHEMBL5766403 0.75 KCNH2 (0.50) MC4RKCNH2LMNAHPGD

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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