SCHEMBL5019996

SCHEMBL5019996

COc1ccc(F)c(F)c1C1CCN(c2ccn3c(C)nnc3c2Cl)CC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.75
SLC6A3 Q01959 1/20 0.53
HTR2A P28223 5/20 0.49

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
SCHEMBL5020039 0.86 GRM2 (0.75) GRM2SLC6A3HTR2A
SCHEMBL4561024 0.86 GRM2 (1.00) GRM2SLC6A3HTR2A
SCHEMBL5020037 0.86 GRM2 (0.57) GRM2SLC6A3HTR2A
SCHEMBL752397 0.85 GRM2 (0.78) GRM2SLC6A3HTR2A
SCHEMBL5020051 0.84 GRM2 (0.75) GRM2SLC6A3HTR2A
SCHEMBL5020024 0.80 GRM2 (0.74) GRM2SLC6A3HTR2A
SCHEMBL747787 0.75 GRM2 (1.00) GRM2SLC6A3HTR2A
SCHEMBL750690 0.74 GRM2 (0.79) GRM2SLC6A3HTR2A
SCHEMBL4562040 0.73 GRM2 (1.00) GRM2SLC6A3HTR2A
SCHEMBL15226722 0.72 GRM2 (1.00) GRM2SLC6A3HTR2A

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