SCHEMBL3377098

SCHEMBL3377098

Cn1cccc1OC(=O)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.48
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 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 0.89 GRM5 (0.49) GRM5NPC1RAB9AL3MBTL1
SCHEMBL3377010 0.89 GRM5 (0.49) GRM5NPC1RAB9AL3MBTL1
SCHEMBL992604 0.87 NPC1 (0.52) GRM5NPC1RAB9AL3MBTL1
SCHEMBL3276822 0.82 GRM5 (0.51) GRM5L3MBTL1
SCHEMBL3276845 0.82 GRM5 (0.51) GRM5L3MBTL1
SCHEMBL3276840 0.82 GRM5 (0.51) GRM5L3MBTL1
SCHEMBL4656464 0.82 GRM5 (0.51) GRM5L3MBTL1
SCHEMBL3276839 0.82 GRM5 (0.51) GRM5L3MBTL1
SCHEMBL3374691 0.81 GRM5 (0.45) GRM5RAB9A
SCHEMBL3379028 0.81 GRM5 (0.46) GRM5

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