SCHEMBL6675442

SCHEMBL6675442

NCC1COC(=O)N1c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.47
MAOA P21397 3/20 0.47
LMNA P02545 2/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 1/20 0.47
F10 P00742 1/20 0.42
NPC1 O15118 2/20 0.41
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
QPCT Q16769 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5183025 0.89 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6098143 0.84 CMA1 (0.36) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3128016 0.84 MAOB (0.50) MAOBMAOALMNAPTGS1CALML3
SCHEMBL16054086 0.82 RPS6KA3 (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6727354 0.81 MAOB (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL16406162 0.79 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL2107339 0.78 IDH1 (0.38) QPCT
SCHEMBL5383830 0.78 MAOB (0.34) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13344776 0.77 F10 (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8125549 0.76 HDAC1 (0.35) QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411932-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY Bayer HealthCare AG (DE) 2004-04-28 EP disclosed
WO-2003000256-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER HEALTHCARE AG (DE) 2003-01-03 WO disclosed
WO-2001047919-A9 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER AG (DE) 2002-12-19 WO disclosed
EP-1261606-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION Bayer Aktiengesellschaft (DE) 2002-12-04 EP disclosed
WO-2001047919-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER AKTIENGESELLSCHAFT (DE) 2001-07-05 WO disclosed