SCHEMBL9465260

SCHEMBL9465260

CCOC[C@H]1CN(c2ccc(OCC[C@@H](O)C(F)(F)F)cc2)C(=O)O1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 16/20 0.51
SIGMAR1 Q99720 1/20 0.42

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
(R/R)Befloxatone SCHEMBL9463614 0.90 GRM2 (0.53) GRM2
(R/R)Befloxatone SCHEMBL3699065 0.90 GRM2 (0.53) GRM2
(R/R)Befloxatone SCHEMBL6455164 0.90 GRM2 (0.53) GRM2
(R/R)Befloxatone SCHEMBL9462907 0.90 GRM2 (0.53) GRM2
Befloxatone SCHEMBL464941 0.90 GRM2 (0.53) GRM2
(R/R)Befloxatone SCHEMBL9463708 0.90 GRM2 (0.53) GRM2
(R/R)Befloxatone SCHEMBL9463277 0.90 GRM2 (0.53) GRM2
(R/R)Befloxatone SCHEMBL9482918 0.90 GRM2 (0.53) GRM2
SCHEMBL9483963 0.86 GRM2 (0.50) GRM2SIGMAR1
SCHEMBL9483033 0.86 GRM2 (0.50) GRM2SIGMAR1

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-5264443-A Psychotropic drugs, antidepressants and anxiolytic agents DELALANDE S.A. (FR) 1993-11-23 US disclosed