SCHEMBL990118

SCHEMBL990118

O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1ccc2ncccc2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.45
HTR3A P46098 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ACKR3 P25106 2/20 0.42
PLK1 P53350 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
SCHEMBL3377251 0.86 ALDH1A1 (0.43) GRM5NPC1RAB9A
SCHEMBL990340 0.85 L3MBTL1 (0.59) GRM5L3MBTL1NPC1RAB9A
SCHEMBL992719 0.85 GRM5 (0.47) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990125 0.84 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3284072 0.84 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990817 0.83 GRM5 (0.60) GRM5L3MBTL1NPC1RAB9A
SCHEMBL989485 0.83 GRM5 (0.47) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990851 0.83 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990840 0.83 GRM5 (0.60) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990821 0.83 GRM5 (0.44) GRM5ACKR3

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