SCHEMBL11026909

SCHEMBL11026909

CN(C)C[C@H](O)[C@@H](O)CN(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
DNM1 Q05193 2/20 0.31
HIF1A Q16665 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4446557 1.00 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL8276606 0.87 TSHR (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL22878514 0.87 LMNA (0.40) SLC6A2SLC6A4SLC6A3TDP1MAPT
SCHEMBL8322058 0.87 TSHR (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL14208437 0.85 SLC6A2 (0.34) SLC6A2SLC6A4
SCHEMBL13900574 0.83
SCHEMBL13312874 0.83
SCHEMBL3656270 0.83
SCHEMBL8780334 0.83 LMNA (0.41) LMNA
SCHEMBL8492819 0.83 MAPT (0.35) HTR2AHRH1TDP1MAPTALDH1A1

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
US-8431751-B1 Polymeric quaternary ammonium compounds with vicinal hydroxy groups ALCON RESEARCH, LTD. (US) 2013-04-30 US disclosed
US-8431751-B1 Polymeric quaternary ammonium compounds with vicinal hydroxy groups ALCON RESEARCH, LTD. (US) 2013-04-30 US disclosed
US-8431751-B1 Polymeric quaternary ammonium compounds with vicinal hydroxy groups ALCON RESEARCH, LTD. (US) 2013-04-30 US disclosed
EP-0069424-B1 PROCESS FOR THE SELECTIVE REDUCTION OF A 14, 17-DIOXO-8,4-SECO-STEROID AKZO N.V. (NL) 1985-05-29 EP disclosed
EP-0069424-A1 Process for the selective reduction of a 14, 17-dioxo-8,4-seco-steroid AKZO N.V. (NL) 1983-01-12 EP disclosed