SCHEMBL6444601

SCHEMBL6444601

OCCCN1CCOC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTR1A P08908 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL6446078 0.90 SLC18A3 (0.50) SLC18A3L3MBTL1ALDH1A1HTR1AMEN1
SCHEMBL22122581 0.84 DRD2 (0.44) L3MBTL1HTR1ALMNASMN1; SMN2CHRM2
SCHEMBL27238406 0.82 SLC18A3 (0.39) SLC18A3L3MBTL1ALDH1A1HPGDLMNA
SCHEMBL8863550 0.77 HTR1A (0.45) L3MBTL1ALDH1A1HTR1ALMNASMN1; SMN2
SCHEMBL23750522 0.77 SLC18A3 (0.45) SLC18A3L3MBTL1ALDH1A1HTR1AMEN1
SCHEMBL22129534 0.76 TP53 (0.45) L3MBTL1HTR1AMEN1KMT2ACYP2D6
SCHEMBL6444637 0.74 SLC18A3 (0.41) SLC18A3L3MBTL1ALDH1A1HTR1ALMNA
SCHEMBL4191462 0.74 NQO1 (0.38) L3MBTL1HTR1AMEN1KMT2ALMNA
SCHEMBL6445634 0.73 SIGMAR1 (0.39) SLC18A3ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL8556874 0.72 DRD2 (0.43) POLBSMN1; SMN2SIGMAR1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537158-B1 RADIATION CURED POLYURETHANES WITH CAPPED AMINO GROUPS BASF SE (DE) 2013-04-24 EP disclosed
US-20050244652-A1 Radiation curable polyurethanes with capped amino groups BASF AKTIENGESELLSCHAFT (DE) 2005-11-03 US disclosed
EP-1537158-A1 RADIATION CURED POLYURETHANES WITH CAPPED AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2005-06-08 EP disclosed
WO-2004022621-A1 RADIATION CURED POLYURETHANES WITH CAPPED AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-03-18 WO disclosed