SCHEMBL8240342

SCHEMBL8240342

NC[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)c(F)c2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.67
MAOB P27338 10/20 0.53
MAOA P21397 3/20 0.53
LMNA P02545 2/20 0.53
PTGS1 P23219 1/20 0.53
CALML3 P27482 1/20 0.53
SDHA P31040 1/20 0.53
F10 P00742 1/20 0.46
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
USP30 Q70CQ3 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
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
SCHEMBL5480971 0.85 BPTF (0.57) BPTFF10KDM4ERXFP1TP53
SCHEMBL13263368 0.82 MAOB (0.72) BPTFMAOBMAOALMNAPTGS1
SCHEMBL1336215 0.81 MAOB (0.69) MAOBMAOALMNAPTGS1CALML3
SCHEMBL76846 0.81 MAOB (0.69) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5513933 0.81 MAOB (0.69) MAOBMAOALMNAPTGS1CALML3
SCHEMBL29439547 0.81 MAOB (0.69) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8364779 0.79 MAOB (0.50) BPTFMAOBMAOALMNAPTGS1
SCHEMBL13368000 0.78 BPTF (0.55) BPTFMAOBMAOALMNAPTGS1
Acetic Acid SCHEMBL1338393 0.76 MAOB (0.74) MAOBMAOALMNAPTGS1CALML3
Acetic Acid SCHEMBL1338391 0.76 MAOB (0.74) MAOBMAOALMNAPTGS1CALML3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007042146-A1 MICROANGIOPATHY TREATMENT AND PREVENTION BAYER HEALTHCARE AG (DE) 2007-04-19 WO disclosed
WO-2007039134-A1 COMBINATION THERAPY COMPRISING SUBSTITUTED OXAZOLIDINONES FOR THE PREVENTION AND TREATMENT OF CEREBRAL CIRCULATORY DISORDERS BAYER HEALTHCARE AG (DE) 2007-04-12 WO disclosed
WO-2003000256-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER HEALTHCARE AG (DE) 2003-01-03 WO disclosed