SCHEMBL7207208

SCHEMBL7207208

COc1ccc(Br)cc1CSc1c(Cl)cccc1CN1CCCC1CO.Cc1ccc2ccccc2c1CSc1ccccc1NC(=O)OCCN1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CCR5 P51681 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
KDR P35968 1/20 0.33
CHRM3 P20309 1/20 0.33
EGFR P00533 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7207210 0.82 KDM4E (0.34) KDM4EALDH1A1CCR5MEN1TSHR
SCHEMBL14027306 0.77 SPHK2 (0.44) KDM4EALDH1A1CCR5MEN1TSHR
SCHEMBL4361737 0.77 SPHK2 (0.44) KDM4EALDH1A1CCR5MEN1TSHR
SCHEMBL4820163 0.77 KDM4E (0.47) KDM4ECCR5MEN1KMT2ATDP1
SCHEMBL14027308 0.77 SPHK2 (0.44) KDM4EALDH1A1CCR5MEN1TSHR
SCHEMBL4366788 0.77 SPHK2 (0.42) KDM4EALDH1A1CCR5MEN1KMT2A
SCHEMBL4159635 0.76 ALDH1A1 (0.42) KDM4EALDH1A1TSHR
Formic Acid SCHEMBL4908786 0.75 SPHK2 (0.42) KDM4EALDH1A1CCR5MEN1TSHR
SCHEMBL7205738 0.74 FAAH (0.39) KDM4ECCR5MEN1KMT2AFAAH
SCHEMBL14027327 0.71 KDM4E (0.43) KDM4EALDH1A1CCR5MEN1TSHR

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