SCHEMBL1688977

SCHEMBL1688977

O=c1c2cn(-c3ccccc3)nc2nc(-c2ccccc2C(F)(F)F)n1-c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.39
MAPT P10636 1/20 0.38
PTGS2 P35354 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MDM2 Q00987 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
HSD11B1 P28845 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL5611595 0.86 GRM1 (0.41) GRM1MAPTPTGS2MEN1KMT2A
SCHEMBL1688913 0.86 MEN1 (0.51) GRM1MAPTPTGS2MEN1KMT2A
SCHEMBL1688907 0.85 GRM1 (0.44) GRM1MAPTPTGS2MEN1KMT2A
SCHEMBL5611874 0.85 ADORA3 (0.41) GRM1MAPTPTGS2MEN1KMT2A
SCHEMBL1689122 0.84 MAPT (0.48) GRM1MAPTPTGS2MEN1KMT2A
SCHEMBL1688936 0.82 MEN1 (0.47) GRM1MAPTPTGS2MEN1KMT2A
SCHEMBL1688984 0.81 ADORA3 (0.43) PTGS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL1688877 0.81 ALDH1A1 (0.39) GRM1MAPTPTGS2MEN1KMT2A
SCHEMBL1688905 0.81 MAPT (0.52) GRM1MAPTPTGS2MEN1KMT2A
SCHEMBL5611971 0.80 GRM1 (0.41) GRM1MAPTPTGS2KDM4EALDH1A1

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