SCHEMBL1906015

SCHEMBL1906015

Cc1cccc(C(=O)N[C@H]2CCC[C@@](O)(C#Cc3cccc(Cl)c3)C2)n1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.58
CNR2 P34972 3/20 0.46
FPR2 P25090 1/20 0.45
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL990944 1.00 GRM5 (0.58) GRM5CNR2FPR2NPC1RAB9A
SCHEMBL990196 0.91 CNR2 (0.48) GRM5CNR2NPC1RAB9A
SCHEMBL992298 0.91 CNR2 (0.48) GRM5CNR2NPC1RAB9A
SCHEMBL990179 0.88 GRM5 (0.46) GRM5NPC1RAB9A
SCHEMBL990855 0.88 GRM5 (0.46) GRM5NPC1RAB9A
SCHEMBL990882 0.87 GRM5 (0.45) GRM5CNR2NPC1RAB9A
SCHEMBL990819 0.87 GRM5 (0.46) GRM5CNR2NPC1RAB9A
SCHEMBL990171 0.87 GRM5 (0.46) GRM5CNR2NPC1RAB9A
SCHEMBL990845 0.87 GRM5 (0.56) GRM5CNR2
SCHEMBL992162 0.87 GRM5 (0.56) GRM5CNR2

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-2563934-A1 PREDICTIVE MARKERS USEFUL IN THE TREATMENT OF FRAGILE X SYNDROME (FXS) Novartis AG (CH) 2013-03-06 EP disclosed
EP-2320892-A2 COMBINATION PRODUCTS Novartis AG (CH) 2011-05-18 EP disclosed