SCHEMBL990906

SCHEMBL990906

Cc1cccc(C#C[C@@]2(O)CCC[C@@H](NC(=O)c3cnc[nH]3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.46

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
SCHEMBL992650 0.90 NPC1 (0.45) GRM5
SCHEMBL990862 0.90 NPC1 (0.45) GRM5
SCHEMBL989508 0.89 GRM5 (0.46) GRM5
SCHEMBL991609 0.84 GRM5 (0.46) GRM5
SCHEMBL990100 0.82 GRM5 (0.47) GRM5
SCHEMBL990750 0.82 GRM5 (0.56) GRM5
SCHEMBL989481 0.79 GRM5 (0.47) GRM5
SCHEMBL990155 0.79 GRM5 (0.47) GRM5
SCHEMBL990050 0.79 ALDH1A1 (0.48) GRM5
SCHEMBL991105 0.79 ALDH1A1 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320892-A2 COMBINATION PRODUCTS Novartis AG (CH) 2011-05-18 EP disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed