SCHEMBL3377010

SCHEMBL3377010

Cn1c(Cl)ccc1OC(=O)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.49
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3373167 1.00 GRM5 (0.49) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3377098 0.89 GRM5 (0.48) GRM5L3MBTL1NPC1RAB9A
SCHEMBL991174 0.88 GRM5 (0.49) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990211 0.88 GRM5 (0.49) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3276840 0.82 GRM5 (0.51) GRM5L3MBTL1
SCHEMBL3276822 0.82 GRM5 (0.51) GRM5L3MBTL1
SCHEMBL4656464 0.82 GRM5 (0.51) GRM5L3MBTL1
SCHEMBL3276845 0.82 GRM5 (0.51) GRM5L3MBTL1
SCHEMBL3276839 0.82 GRM5 (0.51) GRM5L3MBTL1
SCHEMBL3374691 0.82 GRM5 (0.45) GRM5RAB9A

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-1877365-B1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2010-11-10 EP claimed