SCHEMBL5020035

SCHEMBL5020035

COc1cccc(C)c1C1CCN(c2ccnc(NNC(=O)CC(F)(F)F)c2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.41
P2RX7 Q99572 2/20 0.39
DRD4 P21917 1/20 0.38
MALT1 Q9UDY8 2/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CCR1 P32246 2/20 0.34
KIT P10721 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ACACB O00763 1/20 0.33
SMO Q99835 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4566385 0.92 GRM2 (0.50) GRM2P2RX7HCRTR1HCRTR2KIT
SCHEMBL5020053 0.84 GRM2 (0.43) GRM2DRD4MALT1CCR1KMT2A
SCHEMBL4566187 0.84 GRM2 (0.53) GRM2
SCHEMBL16755836 0.81 GRM2 (0.56) GRM2MEN1KMT2ANPSR1
SCHEMBL16755876 0.77 CHRM4 (0.41) GRM2MALT1
SCHEMBL19625664 0.73 OPRM1 (0.44) GRM2DRD4
SCHEMBL16755901 0.73 GRM2 (0.56) GRM2
SCHEMBL15226823 0.72 GRM2 (0.54) GRM2
SCHEMBL6927196 0.71 GRM2 (0.46) GRM2ACACB
SCHEMBL16755854 0.71 GRM2 (0.56) GRM2CCR1SMO

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