SCHEMBL5763447

SCHEMBL5763447

CCN(CC)Cc1c(C)cccc1CCc1cc(Br)ccc1OC.COc1ccc(Br)cc1CCc1cccc(C)c1CN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ MC4R P32245 11/20 0.42
▸ CCR5 P51681 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL4360145 0.91 KDM4E (0.65) KDM4ETDP1MC4RCCR5MEN1
SCHEMBL4816169 0.88 MC4R (0.45) MC4RCCR5
SCHEMBL4369281 0.82 KDM4E (0.51) KDM4ETDP1MC4RALDH1A1KMT2A
SCHEMBL4359119 0.81 KDM4E (0.50) KDM4ETDP1MC4RALDH1A1
SCHEMBL4006591 0.81 KDM4E (0.65) KDM4ETDP1MC4RCCR5ALDH1A1
SCHEMBL4007682 0.76 KCNH2 (0.54) MC4RCCR5
SCHEMBL4008856 0.75 KDM4E (0.66) KDM4ETDP1MC4RCCR5ALDH1A1
SCHEMBL4006364 0.75 KDM4E (0.66) KDM4ETDP1MC4RCCR5MEN1
SCHEMBL4147186 0.72 MC4R (0.54) KDM4ETDP1MC4R
SCHEMBL4006667 0.71 KCNH2 (0.56) MC4RCCR5

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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