SCHEMBL1689119

SCHEMBL1689119

Cc1ccccc1-c1nc2nn(-c3ccccn3)cc2c(=O)n1-c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GRM1 Q13255 1/20 0.36
DPP4 P27487 1/20 0.36
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34
PDE10A Q9Y233 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1688887 0.89 MAPT (0.36) MEN1KMT2AGRM1DPP4MAPT
SCHEMBL1688907 0.86 GRM1 (0.44) MEN1KMT2AGRM1MAPTNPC1
SCHEMBL1753151 0.78 MAPT (0.56) GRM1DPP4MAPTSMN1; SMN2KDM4E
SCHEMBL1688913 0.77 MEN1 (0.51) MEN1KMT2AGRM1MAPTIDO1
SCHEMBL5611981 0.76 ADORA3 (0.41) MEN1KMT2AALDH1A1POLBPDE10A
SCHEMBL5611595 0.75 GRM1 (0.41) MEN1KMT2AGRM1MAPTALDH1A1
SCHEMBL1688936 0.75 MEN1 (0.47) MEN1KMT2AGRM1MAPTALDH1A1
SCHEMBL5611923 0.74 MEN1 (0.38) MEN1KMT2AGRM1MAPTIDO1
SCHEMBL1688977 0.73 GRM1 (0.39) MEN1KMT2AGRM1MAPTALDH1A1
SCHEMBL5611700 0.73 MEN1 (0.52) MEN1KMT2AGRM1MAPTALDH1A1

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-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