SCHEMBL7677560

SCHEMBL7677560

CCC(C)NC(=O)c1nc(C)ccc1C(=O)Nc1c(C)ccc(Br)c1COC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 2/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31

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
SCHEMBL7678830 0.92 PDE4A (0.33) GRM5MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL7682738 0.89 ALDH1A1 (0.37) GRM5GRM1TP53MAPTKMT2A
SCHEMBL7676272 0.86 ALDH1A1 (0.35) TP53KMT2AMEN1ALDH1A1HTT
SCHEMBL7684146 0.86 MAPT (0.35) GRM5GRM1TP53MAPTKMT2A
SCHEMBL7685116 0.85 ALDH1A1 (0.34) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7676299 0.83 TSHR (0.34) TP53MAPTKMT2AMEN1ALDH1A1
SCHEMBL7683343 0.81 PDE4B (0.39) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL7675255 0.80 CNR1 (0.40)
SCHEMBL7683318 0.80 PTGS2 (0.35) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL7684669 0.79 MAPT (0.34) GRM5GRM1TP53MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US claimed