SCHEMBL8107878

SCHEMBL8107878

O=C1CNCC(c2ccccc2)O1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.42
CYP19A1 P11511 3/20 0.42
AR P10275 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
CA2 P00918 1/20 0.38
MAOA P21397 1/20 0.36
PSMB5 P28074 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 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
SCHEMBL14023001 1.00 MAOB (0.42) MAOBCYP19A1ARKDM4EADORA3
SCHEMBL17468803 0.75 CYP3A4 (0.49) MAOBCYP19A1ARKDM4EADORA3
SCHEMBL8809819 0.73 HSD17B10 (0.47) MAOBCYP19A1ARKDM4EADORA3
SCHEMBL2899162 0.73 HSD17B10 (0.47) MAOBCYP19A1ARKDM4EADORA3
SCHEMBL4429 0.73 HSD17B10 (0.47) MAOBCYP19A1ARKDM4EADORA3
SCHEMBL9660310 0.71 TSHR (0.52) MAOBTSHRMAOA
SCHEMBL4260040 0.71 MAOB (0.60) MAOBCYP19A1ARKDM4EADORA3
SCHEMBL982856 0.71 TSHR (0.46) MAOBCYP19A1ARKDM4EADORA3
SCHEMBL9012682 0.71 TSHR (0.46) MAOBCYP19A1ARKDM4EADORA3
SCHEMBL7339250 0.71 TSHR (0.46) MAOBCYP19A1ARKDM4EADORA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028224-A Fluoxetine process from benzoylpropionic acid SEPRACOR INC. (US) 2000-02-22 US claimed
WO-1999067196-A1 FLUOXETINE PROCESS FROM BENZOYLPROPIONIC ACID SEPRACOR INC. (US) 1999-12-29 WO claimed
US-5936124-A Fluoxetine process from benzoylpropionic acid SEPACOR INC. (US) 1999-08-10 US claimed
US-6028224-A Fluoxetine process from benzoylpropionic acid SEPRACOR INC. (US) 2000-02-22 US disclosed
WO-1999067196-A1 FLUOXETINE PROCESS FROM BENZOYLPROPIONIC ACID SEPRACOR INC. (US) 1999-12-29 WO disclosed
US-5936124-A Fluoxetine process from benzoylpropionic acid SEPACOR INC. (US) 1999-08-10 US disclosed