SCHEMBL27372015

SCHEMBL27372015

CC1(c2ccc(N3CC(CO)OC3=O)cc2F)CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.49
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
TMEM97 Q5BJF2 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
HRH2 P25021 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR1E P28566 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP3A4 P08684 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
SCHEMBL6399601 1.00 CALML3 (0.49) CALML3MAOAMAOBTMEM97SIGMAR1
SCHEMBL6401966 0.92 CALML3 (0.41) CALML3MAOAMAOBTMEM97SIGMAR1
SCHEMBL6401969 0.92 CALML3 (0.41) CALML3MAOAMAOBTMEM97SIGMAR1
SCHEMBL27373619 0.92 CALML3 (0.40) CALML3MAOAMAOBTMEM97SIGMAR1
SCHEMBL6396462 0.90 MAOA (0.52) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL6398564 0.86 CALML3 (0.51) CALML3MAOAMAOBTMEM97SIGMAR1
SCHEMBL6398565 0.86 CALML3 (0.51) CALML3MAOAMAOBTMEM97SIGMAR1
SCHEMBL27371358 0.82 CALML3 (0.55) CALML3MAOAMAOBTMEM97SIGMAR1
SCHEMBL6397079 0.82 CALML3 (0.55) CALML3MAOAMAOBTMEM97SIGMAR1
SCHEMBL5327254 0.82 MAOB (0.53) CALML3MAOAMAOBLMNAPTGS1

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
CN-1072222-C Phenyloxazolidinones having a C-C bond to 4-8 membered heterocyclic rings UPJOHN CO (US) 2001-10-03 CN disclosed
CN-1197457-A Phenyloxazolidinones having a C-C bond to a 4-8 membered heterocyclic ring UPJOHN CO (US) 1998-10-28 CN disclosed