SCHEMBL990855

SCHEMBL990855

Cc1cnc(C(=O)N[C@H]2CCC[C@@](O)(C#Cc3cccc(Cl)c3)C2)cn1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.46
ACKR3 P25106 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL990179 1.00 GRM5 (0.46) GRM5ACKR3NPC1RAB9A
SCHEMBL990100 0.92 GRM5 (0.47) GRM5
SCHEMBL990819 0.90 GRM5 (0.46) GRM5ACKR3NPC1RAB9A
SCHEMBL990171 0.90 GRM5 (0.46) GRM5ACKR3NPC1RAB9A
SCHEMBL990944 0.88 GRM5 (0.58) GRM5NPC1RAB9A
SCHEMBL1906015 0.88 GRM5 (0.58) GRM5NPC1RAB9A
SCHEMBL992297 0.87 GRM5 (0.58) GRM5ACKR3
SCHEMBL992162 0.86 GRM5 (0.56) GRM5
SCHEMBL990845 0.86 GRM5 (0.56) GRM5
SCHEMBL992116 0.86 GRM5 (0.43) 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
WO-2011137206-A1 PREDICTIVE MARKERS USEFUL IN THE TREATMENT OF FRAGILE X SYNDROME (FXS) NOVARTIS AG (CH) 2011-11-03 WO disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed