SCHEMBL19971101

SCHEMBL19971101

CC(C)(C=O)CN1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
CXCR4 P61073 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
Piperazine SCHEMBL28078125 0.86 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2CXCR4
SCHEMBL2420027 0.84
SCHEMBL341318 0.80 SMN1; SMN2 (0.34) SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL15541721 0.78 SMN1; SMN2 (0.38) SIGMAR1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL19971135 0.77 SIGMAR1 (0.36) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL9957528 0.77 HTT (0.40) SIGMAR1ALDH1A1HTTMAPTHPGD
SCHEMBL9957046 0.77 POLB (0.38) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL19971084 0.76 SIGMAR1 (0.33) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL342075 0.75 SMN1; SMN2 (0.40) SIGMAR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20531089 0.75 GAA (0.35) ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103261146-B Polyamines having secondary aliphatic amino groups SIKA TECHNOLOGY AG (CH) 2016-01-27 CN claimed
CN-103261146-A Polyamines having secondary aliphatic amino groups SIKA TECHNOLOGY AG 2013-08-21 CN claimed
CN-107428941-B Amidino group-containing catalyst SIKA技术股份公司 2020-11-24 CN disclosed
EP-3344678-A1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS Sika Technology AG (CH) 2018-07-11 EP disclosed
EP-3294803-A1 CATALYST CONTAINING GUANIDINE GROUPS Sika Technology AG (CH) 2018-03-21 EP disclosed
CN-107428941-A Catalyst containing amidino groups SIKA技术股份公司 2017-12-01 CN disclosed
CN-103261146-A Polyamines having secondary aliphatic amino groups SIKA TECHNOLOGY AG 2013-08-21 CN disclosed