SCHEMBL990851

SCHEMBL990851

O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1ccnnc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL990125 0.90 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3284072 0.90 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990840 0.89 GRM5 (0.60) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990817 0.89 GRM5 (0.60) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990340 0.87 L3MBTL1 (0.59) GRM5L3MBTL1NPC1RAB9A
SCHEMBL992719 0.87 GRM5 (0.47) GRM5L3MBTL1NPC1RAB9A
SCHEMBL989485 0.87 GRM5 (0.47) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990740 0.85 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3374841 0.85 GRM5 (0.44) GRM5RAB9A
SCHEMBL2818567 0.85 L3MBTL1 (0.47) GRM5L3MBTL1NPC1RAB9A

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
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed