SCHEMBL4006512

SCHEMBL4006512

COc1ccc(Br)cc1CSc1c(F)cccc1C1=NCCCN1C(=O)OCC(C)COC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC4R P32245 12/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4007992 0.88 MC4R (0.39) MC4RPTGDR2MEN1KMT2AALDH1A1
SCHEMBL4006509 0.87 MC4R (0.38) MC4RPTGDR2MEN1KMT2AALDH1A1
SCHEMBL4146475 0.76 MC4R (0.48) MC4RKCNH2
SCHEMBL4304841 0.75 KCNH2 (0.53) MC4RLMNAKCNH2
SCHEMBL4823163 0.74 KDM4E (0.40) MC4RPTGDR2MEN1KMT2AALDH1A1
SCHEMBL4363678 0.72 KDM4E (0.40) MC4RPTGDR2MEN1KMT2AALDH1A1
Formic Acid SCHEMBL4821760 0.71 MC4R (0.41) MC4RMEN1KMT2AALDH1A1LMNA
SCHEMBL4369399 0.71 MC4R (0.43) MC4RMEN1KMT2AKCNH2
SCHEMBL4006716 0.71 KCNH2 (0.51) MC4RLMNAKCNH2
SCHEMBL4363739 0.71 MC4R (0.65) MC4RKMT2AKCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363890-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2003-11-26 EP claimed
WO-2002062766-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-15 WO claimed
WO-2009080351-A1 COMPOUNDS WITH ANTI-EMETIC EFFECT SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-07-02 WO disclosed
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
EP-1363890-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2003-11-26 EP disclosed
WO-2002062766-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-15 WO disclosed