SCHEMBL1688907

SCHEMBL1688907

Cc1ccccc1-c1nc2nn(-c3ccccc3)cc2c(=O)n1-c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PTGS2 P35354 6/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
HTT P42858 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
SCHEMBL1688913 0.90 MEN1 (0.51) GRM1MAPTMEN1KMT2APTGS2
SCHEMBL5611981 0.89 ADORA3 (0.41) MEN1KMT2AKDM4EADORA3
SCHEMBL5611595 0.88 GRM1 (0.41) GRM1MAPTMEN1KMT2APTGS2
SCHEMBL1688936 0.87 MEN1 (0.47) GRM1MAPTMEN1KMT2APTGS2
SCHEMBL1689119 0.86 MEN1 (0.37) GRM1MAPTMEN1KMT2AKDM4E
SCHEMBL1688977 0.85 GRM1 (0.39) GRM1MAPTMEN1KMT2APTGS2
SCHEMBL1689078 0.84 MAPT (0.61) GRM1MAPTMEN1KMT2ARAB9A
SCHEMBL5611521 0.84 MAPT (0.61) GRM1MAPTMEN1KMT2ARAB9A
SCHEMBL1688905 0.84 MAPT (0.52) GRM1MAPTMEN1KMT2APTGS2
SCHEMBL5612440 0.83 POLB (0.45) GRM1KMT2AKDM4EADORA3

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