SCHEMBL1708449

SCHEMBL1708449

CC(=O)O[C@@H]1COc2cc(N[C@@H]3COc4c(-c5c(C)cc(OCCN6CCCCCC6)cc5C)cccc43)ccc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.38
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
HTR2A P28223 7/20 0.36
HTR2C P28335 6/20 0.36
HRH3 Q9Y5N1 3/20 0.36
EPHX2 P34913 1/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL1707839 0.90 EPHX2 (0.45) FFAR1EPHX2
SCHEMBL1708354 0.88 FFAR1 (0.48) FFAR1
SCHEMBL10010376 0.87 FFAR1 (0.49) FFAR1
SCHEMBL1708320 0.87 FFAR1 (0.38) FFAR1HRH3
SCHEMBL3718225 0.85 FFAR1 (0.37) FFAR1
SCHEMBL3719338 0.85 FFAR1 (0.37) FFAR1
SCHEMBL1708205 0.84 FFAR1 (0.38) FFAR1
SCHEMBL1708589 0.83 FFAR1 (0.44) FFAR1
SCHEMBL3719197 0.83 FFAR1 (0.35) FFAR1
SCHEMBL10010593 0.81 FFAR1 (0.49) FFAR1

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-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed