SCHEMBL5708157

SCHEMBL5708157

CCc1cc(COc2ccccc2)ccc1Br.O=C1CCC(=O)N1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
MAOB P27338 5/20 0.40
HPD P32754 3/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
GRM2 Q14416 1/20 0.37
ALOX12 P18054 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GSTP1 P09211 1/20 0.36
MAOA P21397 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APP P05067 1/20 0.36
SOD1 P00441 1/20 0.36

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
SCHEMBL5708215 0.92 GRM5 (0.40) GRM5MAOBHPDFFAR1FFAR4
SCHEMBL5708162 0.88 MAOB (0.46) GRM5MAOBHPDNPC1ALDH1A1
SCHEMBL3918694 0.87 FFAR1 (0.47) MAOBFFAR1FFAR4ALDH1A1SMN1; SMN2
SCHEMBL5708219 0.80 MAOB (0.44) GRM5MAOBHPDNPC1ALDH1A1
SCHEMBL5708160 0.77 MRGPRX4 (0.49) MAOBFFAR1FFAR4NPC1ALDH1A1
SCHEMBL3920926 0.76 FFAR1 (0.45) MAOBFFAR1FFAR4APP
SCHEMBL20404210 0.76 FFAR1 (0.47) MAOBFFAR1FFAR4SMN1; SMN2L3MBTL1
SCHEMBL3918662 0.74 MAOB (0.48) MAOBFFAR1FFAR4TP53SMN1; SMN2
SCHEMBL29925382 0.73 MAOB (0.54) MAOBGSTP1MAOAL3MBTL1
SCHEMBL2133357 0.73 MAOB (0.54) MAOBGSTP1MAOAL3MBTL1

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-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed