SCHEMBL9549439

SCHEMBL9549439

O=C1O[C@@H](CO)CN1c1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.64
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
CALML3 P27482 6/20 0.54
SIGMAR1 Q99720 1/20 0.47
F10 P00742 1/20 0.47

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
SCHEMBL9482302 1.00 GRM2 (0.64) GRM2MAOAMAOBCALML3SIGMAR1
Hydrochloric Acid SCHEMBL11233573 0.86 GRM2 (0.60) GRM2MAOAMAOBCALML3F10
SCHEMBL7297166 0.86 GRM2 (0.63) GRM2MAOAMAOBCALML3SIGMAR1
SCHEMBL16809996 0.86 MAOA (0.70) GRM2MAOAMAOBCALML3SIGMAR1
SCHEMBL3323919 0.86 MAOA (0.58) GRM2MAOAMAOBCALML3F10
SCHEMBL3327082 0.86 MAOA (0.58) GRM2MAOAMAOBCALML3F10
SCHEMBL12728919 0.86 MAOA (0.70) GRM2MAOAMAOBCALML3SIGMAR1
SCHEMBL412168 0.86 MAOA (0.58) GRM2MAOAMAOBCALML3
SCHEMBL7300213 0.86 GRM2 (0.63) GRM2MAOAMAOBCALML3SIGMAR1
SCHEMBL16685880 0.86 MAOA (0.58) GRM2MAOAMAOBCALML3

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-5235063-A Acetal derivatives of 3-aryl-2-oxazolidine; antidepressants DELALANDE S.A. (FR) 1993-08-10 US disclosed
US-5036090-A Antidepressants DELALANDE S.A. (FR) 1991-07-30 US disclosed