SCHEMBL14717873

SCHEMBL14717873

Cc1cccc(C#C[C@]2(O)CCC[C@H](N)C2)c1.O=C(O)c1ccoc1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.46

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
SCHEMBL3664219 0.92 GRM5 (0.41) GRM5
SCHEMBL3627855 0.89 GRM5 (0.43) GRM5
SCHEMBL2816086 0.85 GRM5 (0.54) GRM5
SCHEMBL2813710 0.85 GRM5 (0.54) GRM5
SCHEMBL3626221 0.84 GRM5 (0.48) GRM5
SCHEMBL990930 0.81 GRM5 (0.47) GRM5
SCHEMBL991428 0.81 GRM5 (0.47) GRM5
SCHEMBL1907392 0.81 GRM5 (0.47) GRM5
SCHEMBL3717173 0.81 GRM5 (0.47) GRM5
SCHEMBL4507971 0.77 GRM5 (0.44) 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
US-20130052644-A1 Predictive Markers Useful in the Treatment of Fragile X Syndrome (FXS) NOVARTIS AG (CH) 2013-02-28 US disclosed