SCHEMBL1898596

SCHEMBL1898596

Cc1nccnc1C(=O)N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL992121 0.89 GRM5 (0.43) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990968 0.88 GRM5 (0.45) GRM5L3MBTL1RAB9A
SCHEMBL990983 0.85 GRM5 (0.42) GRM5L3MBTL1NPC1RAB9A
SCHEMBL992162 0.84 GRM5 (0.56) GRM5
SCHEMBL990845 0.84 GRM5 (0.56) GRM5
SCHEMBL990855 0.84 GRM5 (0.46) GRM5NPC1RAB9A
SCHEMBL990179 0.84 GRM5 (0.46) GRM5NPC1RAB9A
SCHEMBL992297 0.84 GRM5 (0.58) GRM5
SCHEMBL990125 0.83 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990869 0.83 GRM5 (0.48) GRM5L3MBTL1NPC1RAB9A

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-2320892-A2 COMBINATION PRODUCTS Novartis AG (CH) 2011-05-18 EP disclosed