SCHEMBL9484176

SCHEMBL9484176

COCC1CN(c2ccc(OCCC(O)C(F)(F)C(F)(F)F)cc2)C(=O)O1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.52
MAOB P27338 5/20 0.48

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
SCHEMBL9484172 1.00 GRM2 (0.52) GRM2MAOB
(R/R)Befloxatone SCHEMBL9463614 0.93 GRM2 (0.53) GRM2MAOB
(R/R)Befloxatone SCHEMBL9463277 0.93 GRM2 (0.53) GRM2MAOB
Befloxatone SCHEMBL464941 0.93 GRM2 (0.53) GRM2MAOB
(R/R)Befloxatone SCHEMBL9463708 0.93 GRM2 (0.53) GRM2MAOB
(R/R)Befloxatone SCHEMBL9462907 0.93 GRM2 (0.53) GRM2MAOB
(R/R)Befloxatone SCHEMBL9482918 0.93 GRM2 (0.53) GRM2MAOB
(R/R)Befloxatone SCHEMBL6455164 0.93 GRM2 (0.53) GRM2MAOB
(R/R)Befloxatone SCHEMBL3699065 0.93 GRM2 (0.53) GRM2MAOB
SCHEMBL9463565 0.86 GRM2 (0.57) GRM2MAOB

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
US-5196543-A Antidepressants, tranquilizers DELALANDE S.A. (FR) 1993-03-23 US disclosed
US-5036091-A Psychotropic drugs DELALANDE S.A. (FR) 1991-07-30 US disclosed