SCHEMBL19971135

SCHEMBL19971135

CCCC(C)(C=O)CN1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.36
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
CHRM5 P08912 1/20 0.31
CHRM3 P20309 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
SCHEMBL17509722 0.89
SCHEMBL19971101 0.77 SIGMAR1 (0.39) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL20333626 0.75 SIGMAR1 (0.36) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL19971084 0.74 SIGMAR1 (0.33) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL19634116 0.72 SIGMAR1 (0.34) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL20357467 0.71 SIGMAR1 (0.37) SIGMAR1
SCHEMBL5682325 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL27662066 0.69 SIGMAR1 (0.33) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL29955206 0.69 MAOB (0.32)
SCHEMBL1104721 0.69 SIGMAR1 (0.44) SIGMAR1ALDH1A1HTTCHRM5CHRM3

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-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