SCHEMBL20543239

SCHEMBL20543239

ClCC1(c2ccccc2)CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.61
SLC6A4 P31645 6/20 0.58
SLC6A3 Q01959 5/20 0.58
SLC6A2 P23975 3/20 0.58
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL19382461 0.98 DPP4 (0.63) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL23279707 0.89 MAOA (0.60) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL17208745 0.83 SLC6A4 (0.59) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL294761 0.78 DPP4 (0.96) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL2856019 0.78 DPP4 (0.61) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL8170334 0.78 DPP4 (0.61) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL5853830 0.78 SLC6A4 (0.63) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL872342 0.78 DPP4 (0.61) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL21351801 0.77 SLC6A4 (0.61) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL49169 0.77 DPP4 (0.59) DPP4SLC6A4SLC6A3SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3395800-B1 HETEROCYCLIC QUATERNARY NITROGEN COMPOUNDS COMPRISING A POLYMERIC SUBSTITUENT AND THEIR USE AS A PHOTOLATENT CATALYST IN CURABLE COMPOSITIONS HENKEL AG & CO KGAA (DE) 2021-11-03 EP disclosed
US-20200048411-A1 Quaternary Nitrogen Compound for Use as a Latent Catalyst in Curable Compositions HENKEL AG & CO. KGAA (DE) 2020-02-13 US disclosed
EP-3395800-A1 HETEROCYCLIC QUATERNARY NITROGEN COMPOUNDS COMPRISING A POLYMERIC SUBSTITUENT AND THEIR USE AS A PHOTOLATENT CATALYST IN CURABLE COMPOSITIONS Henkel AG & Co. KGaA (DE) 2018-10-31 EP disclosed