SCHEMBL4728276

SCHEMBL4728276

CCOC(=O)c1n[nH]c2c1COc1cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)cc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALPL P05186 1/20 0.41
TARBP2 Q15633 1/20 0.41
CNR1 P21554 10/20 0.39
CNR2 P34972 9/20 0.39
KCNH2 Q12809 8/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 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
SCHEMBL4726979 0.92 SMN1; SMN2 (0.39) MAPTNPC1POLBTSHRRAB9A
SCHEMBL4727728 0.92 ALPL (0.44) MAPTNPC1POLBTSHRRAB9A
SCHEMBL4726712 0.92 MAPT (0.42) MAPTNPC1POLBTSHRRAB9A
SCHEMBL4726914 0.89 MAPT (0.39) MAPTNPC1POLBTSHRRAB9A
SCHEMBL4731229 0.88 MAPT (0.45) MAPTNPC1POLBTSHRRAB9A
SCHEMBL4726897 0.88 GAA (0.40) MAPTNPC1POLBTSHRRAB9A
SCHEMBL4727651 0.86 MARS1 (0.43) ALPLCNR1CNR2KCNH2NR1I2
SCHEMBL4729634 0.83 KDM4E (0.40) MAPTNPC1POLBTSHRRAB9A
SCHEMBL4731047 0.82 MAPT (0.43) MAPTNPC1POLBTSHRRAB9A
SCHEMBL2171236 0.80 L3MBTL1 (0.38) MAPTNPC1POLBRAB9ASMN1; SMN2

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
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 WO claimed
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 WO disclosed