SCHEMBL1688979

SCHEMBL1688979

O=c1c2cn(-c3ccccc3)nc2nc(-c2c(F)cc(F)cc2F)n1-c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.40
MAPT P10636 2/20 0.39
PTGS2 P35354 6/20 0.39
ALDH1A1 P00352 5/20 0.39
ALDH1A2 O94788 4/20 0.39
ALDH1A3 P47895 4/20 0.39
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GLA P06280 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
SCHEMBL5611971 0.92 GRM1 (0.41) GRM1MAPTPTGS2ALDH1A1ALDH1A2
SCHEMBL1688877 0.88 ALDH1A1 (0.39) GRM1MAPTPTGS2ALDH1A1ALDH1A2
SCHEMBL1688889 0.85 MAPT (0.49) GRM1MAPTPTGS2ALDH1A1KDM4E
SCHEMBL5611595 0.85 GRM1 (0.41) GRM1MAPTPTGS2ALDH1A1ALDH1A2
SCHEMBL5611869 0.85 MAPT (0.49) GRM1MAPTPTGS2ALDH1A1KDM4E
SCHEMBL1689250 0.84 ALDH1A2 (0.44) GRM1MAPTPTGS2ALDH1A1ALDH1A2
SCHEMBL1688905 0.81 MAPT (0.52) GRM1MAPTPTGS2ALDH1A1KDM4E
SCHEMBL1688917 0.81 ALDH1A1 (0.41) GRM1MAPTALDH1A1ALDH1A2ALDH1A3
SCHEMBL1688913 0.81 MEN1 (0.51) GRM1MAPTPTGS2KDM4EPKM
SCHEMBL5611636 0.80 PTGS2 (0.40) GRM1MAPTPTGS2ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP claimed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO claimed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO disclosed