SCHEMBL1708703

SCHEMBL1708703

O=C(O)C[C@@H]1OCc2cc(NC3CCc4c(Br)cccc43)ccc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.35
FADS1 O60427 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.30
NR3C1 P04150 1/20 0.30
P2RX7 Q99572 1/20 0.30
CYP2C8 P10632 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
SCHEMBL10010874 0.78 FFAR1 (0.46) FFAR1
SCHEMBL7406722 0.72 DRD1 (0.41) GAAL3MBTL1MAPTHTT
SCHEMBL26789976 0.71 FADS1 (0.46) FADS1
SCHEMBL1707982 0.69 FFAR1 (0.33) FFAR1FADS1P2RX7CYP2C8
SCHEMBL7405122 0.68 GAA (0.45) FFAR1GAAL3MBTL1MAPTPTGDR2
SCHEMBL1881338 0.68 GID4 (0.41) HTTP2RX7
SCHEMBL22501405 0.68 GID4 (0.41) HTTP2RX7
SCHEMBL12474262 0.68 FFAR1 (0.46) FFAR1MAPT
SCHEMBL1708702 0.67 P2RX7 (0.35) FFAR1FADS1MAPTP2RX7CYP2C8
SCHEMBL14567148 0.67 FFAR1 (0.47) FFAR1HTTPTGDR2

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 1 patent. 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