SCHEMBL16197918

SCHEMBL16197918

NCC1OCCN1c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.45
MAOA P21397 3/20 0.45
LMNA P02545 3/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
F10 P00742 1/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LGMN Q99538 1/20 0.40
USP30 Q70CQ3 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL16197917 1.00 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL28304851 0.83 BPTF (0.43) TSHRALDH1A1
SCHEMBL19995121 0.80 RPS6KA3 (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL19995120 0.80 RPS6KA3 (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL27723554 0.74 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL27861030 0.74 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL27832281 0.74 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL15219631 0.73 MAOB (0.51) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8240342 0.72 BPTF (0.67) MAOBMAOALMNAPTGS1CALML3
SCHEMBL29439547 0.72 MAOB (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2989097-A1 IMPROVED PROCESSES FOR THE PREPARATION OF LINEZOLID USING NOVEL INTERMEDIATES Symed Labs Limited (IN) 2016-03-02 EP claimed
WO-2014174522-A1 IMPROVED PROCESSES FOR THE PREPARATION OF LINEZOLID USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2014-10-30 WO claimed