SCHEMBL992116

SCHEMBL992116

O=C(N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1)c1cnc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.43
CNR2 P34972 1/20 0.40
CNR1 P21554 2/20 0.39

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
SCHEMBL990236 1.00 GRM5 (0.43) GRM5CNR2CNR1
SCHEMBL990845 0.86 GRM5 (0.56) GRM5CNR2
SCHEMBL990171 0.86 GRM5 (0.46) GRM5CNR2
SCHEMBL990819 0.86 GRM5 (0.46) GRM5CNR2
SCHEMBL992162 0.86 GRM5 (0.56) GRM5CNR2
SCHEMBL990855 0.86 GRM5 (0.46) GRM5
SCHEMBL990179 0.86 GRM5 (0.46) GRM5
SCHEMBL3377997 0.85 GRM5 (0.42) GRM5
SCHEMBL990196 0.84 CNR2 (0.48) GRM5CNR2
SCHEMBL992298 0.84 CNR2 (0.48) GRM5CNR2

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
WO-2011137206-A1 PREDICTIVE MARKERS USEFUL IN THE TREATMENT OF FRAGILE X SYNDROME (FXS) NOVARTIS AG (CH) 2011-11-03 WO disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed