SCHEMBL28709291

SCHEMBL28709291

NC(=O)N1CCNCC1.[Zn]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
CHKA P35790 1/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
CHRNB3 Q05901 1/20 0.48
CHRNA6 Q15825 1/20 0.48
SIGMAR1 Q99720 1/20 0.42
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
EPHX2 P34913 1/20 0.37
HPGD P15428 1/20 0.35
HSP90AA1 P07900 1/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34

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
SCHEMBL242268 0.97
SCHEMBL28706408 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
Piperazine SCHEMBL28195185 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL27640046 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
Water SCHEMBL15152290 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL28848380 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL956960 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
Bromide SCHEMBL21957301 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL21065355 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL8029418 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA

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
CN-111592688-B Piperazine based amide acid salt heat stabilizer for PVC, preparation method thereof and PVC composite material 唐山师范学院 2022-03-22 CN claimed
CN-111592688-A Piperazine based amide acid salt heat stabilizer for PVC, preparation method thereof and PVC composite material 唐山师范学院 2020-08-28 CN claimed
CN-111592688-B Piperazine based amide acid salt heat stabilizer for PVC, preparation method thereof and PVC composite material 唐山师范学院 2022-03-22 CN disclosed
CN-111592688-A Piperazine based amide acid salt heat stabilizer for PVC, preparation method thereof and PVC composite material 唐山师范学院 2020-08-28 CN disclosed