SCHEMBL5050388

SCHEMBL5050388

C=C(C)C(=O)NCC[N+](O)(O)CC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TGFBR1 P36897 1/20 0.32

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
SCHEMBL9351903 0.89 KDM4E (0.33) TGFBR1
SCHEMBL7056776 0.82 CHRM2 (0.44) CHRM2CYP2D6CHRM1ADRA2CCHRM3
Hydrochloric Acid SCHEMBL475743 0.81 CHRM2 (0.43) CHRM2CYP2D6CHRM1ADRA2CCHRM3
Bromide SCHEMBL6116969 0.81 CHRM2 (0.43) CHRM2CYP2D6CHRM1ADRA2CCHRM3
SCHEMBL3770023 0.81 BBOX1 (0.37) CHRM2CYP2D6CHRM1ADRA2CCHRM3
Hydrochloric Acid SCHEMBL21801821 0.79 BBOX1 (0.36) CHRM2CYP2D6CHRM1ADRA2CCHRM3
SCHEMBL2694530 0.78 ACHE (0.37) CHRM2CYP2D6CHRM1CHRM3TGFBR1
SCHEMBL316224 0.76 TGFBR1 (0.41) CYP2D6TGFBR1
Iodide SCHEMBL17105890 0.76 ACHE (0.35) CHRM2CYP2D6CHRM1CHRM3TGFBR1
Iodide SCHEMBL7927481 0.76 ACHE (0.35) CHRM2CYP2D6CHRM1CHRM3TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311572-B1 BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE 3M INNOVATIVE PROPERTIES CO (US) 2011-12-21 EP disclosed
US-7459167-B1 Biocidal polyurethane compositions and methods of use 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-12-02 US disclosed
EP-1935911-A1 Biocidal Polyurethane Compositions and Method of Use 3M Innovative Properties Company (US) 2008-06-25 EP disclosed
EP-1311572-A2 BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE 3M Innovative Properties Company (US) 2003-05-21 EP disclosed
WO-2002010244-A2 BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-02-07 WO disclosed
US-5350663-A Construction of electrical circuits and protective or insulating layers for electronic components BASF LACKE+ FARBEN AKTIENGESELLSCHAFT (DE) 1994-09-27 US disclosed