SCHEMBL5020053

SCHEMBL5020053

COc1ccc(C)cc1C1CCN(c2ccnc(NNC(=O)CC(F)(F)F)c2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.43
SLC6A3 Q01959 1/20 0.39
DRD4 P21917 2/20 0.36
CCR1 P32246 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MALT1 Q9UDY8 3/20 0.34
RBP4 P02753 2/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4566187 0.92 GRM2 (0.53) GRM2SLC6A3
SCHEMBL5020035 0.84 GRM2 (0.41) GRM2DRD4CCR1MALT1KMT2A
SCHEMBL4566385 0.82 GRM2 (0.50) GRM2KMT2ANPSR1
SCHEMBL16755854 0.81 GRM2 (0.56) GRM2SLC6A3CCR1PTGDR2
SCHEMBL16755901 0.76 GRM2 (0.56) GRM2TSHR
SCHEMBL16755876 0.74 CHRM4 (0.41) GRM2MALT1RBP4
SCHEMBL5020038 0.72 GRM2 (0.54) GRM2SLC6A3HTR2A
SCHEMBL19625664 0.71 OPRM1 (0.44) GRM2DRD4DRD2HTR2A
SCHEMBL16755836 0.71 GRM2 (0.56) GRM2KMT2ANPSR1
SCHEMBL16755743 0.70 GRM2 (0.53) GRM2RBP4ALDH1A1

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
WO-2012062752-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed