SCHEMBL14734735

SCHEMBL14734735

Cc1cccc(C(=O)O)n1.N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.44
FPR2 P25090 1/20 0.39
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAP3K14 Q99558 1/20 0.35

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
SCHEMBL1899368 0.84 GRM5 (0.49) GRM5MAP3K14
SCHEMBL3276812 0.84 GRM5 (0.49) GRM5MAP3K14
SCHEMBL990944 0.81 GRM5 (0.58) GRM5FPR2
SCHEMBL1906015 0.81 GRM5 (0.58) GRM5FPR2
SCHEMBL3802097 0.80 GRM5 (0.42) GRM5
SCHEMBL2842438 0.77 GRM5 (0.43) GRM5MAPT
SCHEMBL2839746 0.77 GRM5 (0.43) GRM5MAPT
SCHEMBL2838365 0.77 GRM5 (0.43) GRM5
SCHEMBL2841216 0.77 GRM5 (0.43) GRM5
SCHEMBL2813710 0.76 GRM5 (0.54) 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-2563934-A1 PREDICTIVE MARKERS USEFUL IN THE TREATMENT OF FRAGILE X SYNDROME (FXS) Novartis AG (CH) 2013-03-06 EP disclosed