SCHEMBL8551980

SCHEMBL8551980

O=C(OCc1ccccc1)C1CCC(c2ccc(N3C[C@H](CO)OC3=O)cc2F)=CN1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.53
MAOA P21397 7/20 0.43
MAOB P27338 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL8557287 0.89 MAOA (0.41) CALML3MAOAMAOB
SCHEMBL6403597 0.78 CALML3 (0.54) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL6403602 0.78 CALML3 (0.54) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL8021979 0.76 MAOA (0.62) CALML3MAOAMAOB
SCHEMBL8554073 0.75 MAOA (0.58) CALML3MAOAMAOB
SCHEMBL13081232 0.74 CALML3 (0.52) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL541806 0.73 CALML3 (0.59) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL541807 0.73 CALML3 (0.59) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3323285 0.73 CALML3 (0.80) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3323279 0.73 CALML3 (0.80) CALML3MAOAMAOBCYP2C19CYP2C9

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