SCHEMBL992121

SCHEMBL992121

Nc1nccnc1C(=O)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
PRKCI P41743 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL1898596 0.89 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990400 0.88 GRM5 (0.43) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990983 0.85 GRM5 (0.42) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990845 0.84 GRM5 (0.56) GRM5
SCHEMBL992162 0.84 GRM5 (0.56) GRM5
SCHEMBL992297 0.84 GRM5 (0.58) GRM5
SCHEMBL990125 0.83 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL992266 0.83 L3MBTL1 (0.46) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3284072 0.83 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990740 0.83 GRM5 (0.46) 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