SCHEMBL7207210

SCHEMBL7207210

COc1ccc(Br)cc1CSc1c(Cl)cccc1CN1CCCC1C(O)N(C(=O)OCCN1CCCCC1)c1ccccc1SCc1c(C)ccc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CCR5 P51681 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
OPRK1 P41145 1/20 0.32
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MC4R P32245 1/20 0.31
CASR P41180 1/20 0.30

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
SCHEMBL7207208 0.82 ENPP2 (0.34) KDM4EALDH1A1MEN1KMT2ACCR5
SCHEMBL4822552 0.68 KDM4E (0.63) KDM4EALDH1A1MEN1KMT2ACCR5
SCHEMBL14027306 0.67 SPHK2 (0.44) KDM4EALDH1A1MEN1KMT2ACCR5
SCHEMBL4361737 0.67 SPHK2 (0.44) KDM4EALDH1A1MEN1KMT2ACCR5
SCHEMBL14027308 0.67 SPHK2 (0.44) KDM4EALDH1A1MEN1KMT2ACCR5
SCHEMBL4366788 0.67 SPHK2 (0.42) KDM4EALDH1A1MEN1KMT2ACCR5
SCHEMBL14027632 0.66 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2ACCR5
SCHEMBL7205738 0.66 FAAH (0.39) KDM4EMEN1KMT2ACCR5MC4R
SCHEMBL4302766 0.66 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2ACCR5
SCHEMBL14027638 0.66 FAAH (0.44) KDM4EALDH1A1MEN1KMT2ACCR5

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-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