SCHEMBL990930

SCHEMBL990930

Cc1cccc(C#C[C@@]2(O)CCC[C@@H](NC(=O)c3ccoc3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 19/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL991428 1.00 GRM5 (0.47) GRM5NPC1RAB9A
SCHEMBL3664219 0.92 GRM5 (0.41) GRM5NPC1RAB9A
SCHEMBL991434 0.90 GRM5 (0.45) GRM5NPC1RAB9A
SCHEMBL990758 0.90 GRM5 (0.45) GRM5NPC1RAB9A
SCHEMBL990890 0.89 GRM5 (0.47) GRM5
SCHEMBL990768 0.89 GRM5 (0.47) GRM5
SCHEMBL991105 0.84 ALDH1A1 (0.48) GRM5
SCHEMBL990050 0.84 ALDH1A1 (0.48) GRM5
SCHEMBL990750 0.83 GRM5 (0.56) GRM5
SCHEMBL14717873 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-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed