SCHEMBL990087

SCHEMBL990087

Cc1oncc1C(=O)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
GRM5 P41594 13/20 0.44
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL990881 0.86 LMNA (0.50) LMNAGRM5NPC1RAB9AL3MBTL1
SCHEMBL990361 0.86 LMNA (0.50) LMNAGRM5NPC1RAB9AL3MBTL1
SCHEMBL990865 0.86 NPC1 (0.46) LMNAGRM5NPC1RAB9AL3MBTL1
SCHEMBL3376114 0.85 GRM5 (0.44) GRM5
SCHEMBL990882 0.83 GRM5 (0.45) GRM5NPC1RAB9AL3MBTL1
SCHEMBL990968 0.83 GRM5 (0.45) GRM5RAB9AL3MBTL1
SCHEMBL992077 0.83 GRM5 (0.44) GRM5NPC1RAB9AL3MBTL1
SCHEMBL990821 0.83 GRM5 (0.44) GRM5
SCHEMBL990212 0.83 GRM5 (0.44) GRM5NPC1RAB9AL3MBTL1
SCHEMBL990179 0.82 GRM5 (0.46) GRM5NPC1RAB9A

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