SCHEMBL3811680

SCHEMBL3811680

COc1cc(Br)ccc1OC1CC(N2CCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 2/20 0.44
TRPV6 Q9H1D0 1/20 0.39
CCR4 P51679 1/20 0.39
SLC6A4 P31645 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL1431991 0.96 KDM4E (0.50) KDM4ETDP1GAATRPV6CCR4
SCHEMBL1431993 0.96 KDM4E (0.50) KDM4ETDP1GAATRPV6CCR4
SCHEMBL2578985 0.78 SLC6A4 (0.56) KDM4ETDP1TRPV6SLC6A4
SCHEMBL1432717 0.78 RECQL (0.44) KDM4ETDP1GAASLC6A4ALDH1A1
SCHEMBL1431665 0.78 FPR2 (0.41) KDM4ETDP1GAAALDH1A1KMT2A
SCHEMBL1432715 0.78 RECQL (0.44) KDM4ETDP1GAASLC6A4ALDH1A1
SCHEMBL1431666 0.78 FPR2 (0.41) KDM4ETDP1GAAALDH1A1KMT2A
SCHEMBL14862657 0.77 TRPV6 (0.39) KDM4ETDP1GAATRPV6ALDH1A1
SCHEMBL29340248 0.77 NPY1R (0.49) KDM4ETDP1SLC6A4MEN1KMT2A
SCHEMBL1432768 0.76 CA12 (0.52) KDM4EALDH1A1CYP2D6

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-2089397-A1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL]-2-PHENYL-5H-THIAZ0L0 [5,4-C]PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-08-19 EP disclosed
WO-2008076562-A1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL] -2-PHENYL-5H-THIAZ0L0 [5,4-C] PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-06-26 WO disclosed