SCHEMBL3989090

SCHEMBL3989090

CC(O)N(c1ccccn1)C(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TAAR1 Q96RJ0 1/20 0.40
LIPE Q05469 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 3/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 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
SCHEMBL14813491 0.86 POLB (0.39) CYP2D6CYP2C19POLBALDH1A1CHRM2
SCHEMBL11701431 0.83 CYP2D6 (0.44) CYP2D6CYP2C19TAAR1LIPEPOLB
SCHEMBL1225311 0.83 CYP2D6 (0.47) CYP2D6CYP2C19TAAR1LIPEPOLB
SCHEMBL4500673 0.82 CYP2D6 (0.47) CYP2D6CYP2C19TAAR1LIPEPOLB
SCHEMBL21884184 0.80 CYP2D6 (0.42) CYP2D6CYP2C19TAAR1LIPEPOLB
SCHEMBL11697724 0.77 ALDH1A1 (0.41) CYP2D6CYP2C19TAAR1POLBALDH1A1
SCHEMBL13338372 0.74 CYP2D6 (0.47) CYP2D6CYP2C19TAAR1LIPEPOLB
SCHEMBL11700180 0.73 ALDH1A1 (0.51) TAAR1POLBALDH1A1CHRM2ADRA2A
SCHEMBL11698787 0.73 CYP2D6 (0.37) CYP2D6CYP2C19TAAR1LIPEPOLB
SCHEMBL85721 0.72 CYP2D6 (0.55) CYP2D6CYP2C19TAAR1LIPEALDH1A1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011163250-A1 AQUEOUS POLYURETHANE DISPERSIONS NDSU RESEARCH FOUNDATION (US) 2011-12-29 WO claimed
US-20230026948-A1 POLYOL COMPOSITIONS AND METHODS ARAMCO PERFORMANCE MATERIALS LLC 2023-01-26 US disclosed
US-20220002469-A1 POLYOL COMPOSITIONS AND METHODS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2022-01-06 US disclosed
WO-2021262845-A1 POLYOL COMPOSITIONS AND METHODS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2021-12-30 WO disclosed
US-20210284784-A1 POLYMER COMPOSITIONS AND METHODS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2021-09-16 US disclosed
US-11021564-B2 High strength polyurethane foam compositions and methods SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2021-06-01 US disclosed
US-10982036-B2 Polymer compositions and methods SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2021-04-20 US disclosed
EP-3004196-B1 CO2 CONTAINING FOAMS AND RELATED METHODS SAUDI ARAMCO TECH CO (SA) 2021-04-07 EP disclosed
US-10968350-B2 Adhesive compositions and methods SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2021-04-06 US disclosed
US-20200325296-A1 CO2 CONTAINING FOAMS AND RELATED METHODS NOVOMER, INC. 2020-10-15 US disclosed
US-20140024795-A1 ALIPHATIC POLYCARBONATE POLYOLS CONTAINING SILYL GROUPS NOVOMER, INC. (US) 2014-01-23 US disclosed
WO-2013163442-A1 ALIPHATIC POLYCARBONATE POLYOLS CONTAINING SILYL GROUPS NOVOMER, INC. (US) 2013-10-31 WO disclosed
WO-2013158621-A1 ADHESIVE COMPOSITIONS AND METHODS NOVOMER, INC. (US) 2013-10-24 WO disclosed
US-20130274401-A1 ADHESIVE COMPOSITIONS AND METHODS NOVOMER, INC. (US) 2013-10-17 US disclosed
WO-2013138161-A1 POLYMER COMPOSITIONS AND METHODS NOVOMER, INC. (US) 2013-09-19 WO disclosed
WO-2013016331-A2 POLYMER COMPOSITIONS AND METHODS NOVOMER, INC. (US) 2013-01-31 WO disclosed
WO-2011163250-A1 AQUEOUS POLYURETHANE DISPERSIONS NDSU RESEARCH FOUNDATION (US) 2011-12-29 WO disclosed
US-7563507-B2 Pyridine and related ligand compounds, functionalized nanoparticulate composites and methods of preparation UNIVERSITY OF MASSACHUSETTS (US) 2009-07-21 US disclosed
WO-2004065362-A2 PYRIDINE AND RELATED LIGAND COMPOUNDS, FUNCTIONALIZED NANOPARTICULATE COMPOSITES AND METHODS OF PREPARATION UNIVERSITY OF MASSACHUSETTS (US) 2004-08-05 WO disclosed
US-20040106781-A1 Pyridine and related ligand compounds, functionalized nanoparticulate composites and methods of preparation MASSACHUSETTS, UNIVERSITY OF 2004-06-03 US disclosed