SCHEMBL8552354

SCHEMBL8552354

O=C(OCc1ccccc1)C1CC(c2ccc(N3C[C@H](CO)OC3=O)cc2)=CCN1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.42
HPGD P15428 1/20 0.41
CALML3 P27482 4/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TSHR P16473 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL8554255 0.89 MAOA (0.44) HPGDCALML3MAOAMAOBF10
SCHEMBL8553161 0.88 HPGD (0.40) GRM2HPGDTSHR
SCHEMBL7127112 0.77 MAOA (0.48) CALML3MAOAMAOBF10
SCHEMBL6396892 0.77 GRM2 (0.43) GRM2HPGDCALML3MAOAMAOB
SCHEMBL6396899 0.77 GRM2 (0.43) GRM2HPGDCALML3MAOAMAOB
SCHEMBL8553013 0.75 MAOA (0.46) CALML3MAOAMAOBF10
SCHEMBL8551980 0.73 CALML3 (0.53) CALML3MAOAMAOB
SCHEMBL8549873 0.73 ROCK2 (0.51) MAOAMAOBTSHR
SCHEMBL8027128 0.73 MAOA (0.48) CALML3MAOAMAOBF10
SCHEMBL8553593 0.73 MAOA (0.46) CALML3MAOAMAOBF10

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
EP-0856002-A1 PHENYLOXAZOLIDINONES HAVING A C-C BOND TO 4-8 MEMBERED HETEROCYCLIC RINGS PHARMACIA & UPJOHN COMPANY (US) 1998-08-05 EP disclosed
WO-1997009328-A1 PHENYLOXAZOLIDINONES HAVING A C-C BOND TO 4-8 MEMBERED HETEROCYCLIC RINGS PHARMACIA & UPJOHN COMPANY (US) 1997-03-13 WO disclosed