SCHEMBL1702771

SCHEMBL1702771

CC1(C)CCCC(C)(C)N1CCCCOC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
LMNA P02545 2/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
HTR1A P08908 1/20 0.34
CHRNA7 P36544 1/20 0.34
NFKB1 P19838 1/20 0.34
ALOX15 P16050 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL534443 0.80 TSHR (0.51) TSHRCYP2C19NFKB1
SCHEMBL10170322 0.76 TSHR (0.35) TSHRCYP2C19NFKB1
SCHEMBL10171052 0.74 TSHR (0.34) TSHRCYP2C19NFKB1
SCHEMBL10171050 0.74 TSHR (0.34) TSHRCYP2C19NFKB1
SCHEMBL10170323 0.74 TSHR (0.34) TSHRCYP2C19NFKB1
SCHEMBL11807662 0.74 TSHR (0.39) TSHRCYP2C19LMNANFKB1
SCHEMBL11811701 0.73 ALDH1A1 (0.39) TSHRCYP2C19CHRM2CHRM4CHRM5
SCHEMBL11202989 0.72 DGKA (0.42) TSHRCYP2C19NFKB1
SCHEMBL11806697 0.71 TSHR (0.37) TSHRCYP2C19LMNANFKB1ALOX15
SCHEMBL11807014 0.71 ADRA2A (0.38) TSHRCYP2C19LMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2779830-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS Deutschland GmbH (DE) 2014-09-24 EP disclosed
WO-2013072427-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2013-05-23 WO disclosed
EP-2440043-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS Lanxess Deutschland GmbH (DE) 2012-04-18 EP disclosed
WO-2010142790-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2010-12-16 WO disclosed
WO-2010112387-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2010-10-07 WO disclosed
EP-1926367-A1 STABILIZATION OF IODINE BIOCIDES Lanxess Deutschland GmbH & Co.KG (DE) 2008-06-04 EP disclosed
WO-2007028527-A1 STABILIZATION OF IODINE BIOCIDES LANXESS DEUTSCHLAND GMBH (DE) 2007-03-15 WO disclosed
EP-1268633-A1 STABILIZING MIXTURES FOR ORGANIC POLYMERS Great Lakes Chemical (Europe) GmbH (CH) 2003-01-02 EP disclosed
WO-2001070868-A1 STABLILIZING MIXTURES FOR ORGANIC POLYMERS GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) 2001-09-27 WO disclosed