SCHEMBL992298

SCHEMBL992298

O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1cccc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.48
GRM5 P41594 12/20 0.47
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL990196 1.00 CNR2 (0.48) CNR2GRM5NPC1RAB9AL3MBTL1
SCHEMBL1906015 0.91 GRM5 (0.58) CNR2GRM5NPC1RAB9A
SCHEMBL990944 0.91 GRM5 (0.58) CNR2GRM5NPC1RAB9A
SCHEMBL992162 0.89 GRM5 (0.56) CNR2GRM5
SCHEMBL990845 0.89 GRM5 (0.56) CNR2GRM5
SCHEMBL990819 0.86 GRM5 (0.46) CNR2GRM5NPC1RAB9AL3MBTL1
SCHEMBL990171 0.86 GRM5 (0.46) CNR2GRM5NPC1RAB9AL3MBTL1
SCHEMBL990078 0.86 ALDH1A1 (0.45) CNR2GRM5NPC1RAB9A
SCHEMBL990080 0.86 ALDH1A1 (0.45) CNR2GRM5NPC1RAB9A
SCHEMBL990340 0.85 L3MBTL1 (0.59) GRM5NPC1RAB9AL3MBTL1

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 3 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-2320892-A2 COMBINATION PRODUCTS Novartis AG (CH) 2011-05-18 EP disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed