SCHEMBL7205738

SCHEMBL7205738

COc1ccc(Br)cc1CSc1c(Cl)cccc1CN1CCCCC1CO.OCC1CCCCN1Cc1cccc(Cl)c1C(S)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.39
SPHK2 Q9NRA0 3/20 0.35
SPHK1 Q9NYA1 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CD274 Q9NZQ7 4/20 0.35
PDCD1LG2 Q9BQ51 2/20 0.35
PDCD1 Q15116 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MC4R P32245 1/20 0.32
CCR5 P51681 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL4366788 0.87 SPHK2 (0.42) SPHK2SPHK1MEN1KMT2ACD274
SCHEMBL14027308 0.85 SPHK2 (0.44) FAAHSPHK2SPHK1MEN1KMT2A
SCHEMBL4361737 0.85 SPHK2 (0.44) FAAHSPHK2SPHK1MEN1KMT2A
SCHEMBL14027306 0.85 SPHK2 (0.44) FAAHSPHK2SPHK1MEN1KMT2A
SCHEMBL5767465 0.85 FAAH (0.44) FAAHSPHK2SPHK1MEN1KMT2A
SCHEMBL4370884 0.82 FAAH (0.48) FAAHSPHK2SPHK1CD274PDCD1LG2
Formic Acid SCHEMBL4908786 0.81 SPHK2 (0.42) SPHK2SPHK1MEN1KMT2ACD274
SCHEMBL14027638 0.77 FAAH (0.44) FAAHMEN1KMT2AMC4RCCR5
SCHEMBL4307265 0.77 FAAH (0.44) FAAHMEN1KMT2AMC4RCCR5
SCHEMBL14027317 0.77 FAAH (0.44) FAAHMEN1KMT2AMC4RCCR5

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 4 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
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