SCHEMBL29642018

SCHEMBL29642018

C=C(C)C(=O)NCC(N)CCCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 7/20 0.41
SLC15A1 P46059 1/20 0.38
DPP8 Q6V1X1 5/20 0.36
DPP4 P27487 4/20 0.36
DPP9 Q86TI2 4/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RRM1 P23921 1/20 0.35
S1PR2 O95136 5/20 0.34
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
S1PR4 O95977 4/20 0.34
METAP1 P53582 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
SCHEMBL18125223 0.82 DPP7 (0.46) DPP7SLC15A1DPP8DPP4DPP9
SCHEMBL19991828 0.82 DPP7 (0.46) DPP7SLC15A1DPP8DPP4DPP9
SCHEMBL23761385 0.81 ACE2 (0.37) DPP7SLC15A1DPP8DPP4DPP9
SCHEMBL548172 0.81 GPR84 (0.38) DPP7CA1CA2
SCHEMBL225597 0.79 TSHR (0.50) CA1CA2ALDH1A1
SCHEMBL5053833 0.78 CA2 (0.52) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL440272 0.78 LMNA (0.41) DPP7CA2
SCHEMBL28615632 0.77 CA1 (0.39) DPP7CA1CA2ALDH1A1
Hydrochloric Acid SCHEMBL29202584 0.77 DPP7 (0.44) DPP7SLC15A1DPP8DPP4DPP9
SCHEMBL6117766 0.76 LMNA (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765552-B1 CATIONIC POLYMERS FOR USE AS ANION EXCHANGE POLYELECTROLYTES 3M INNOVATIVE PROPERTIES CO (US) 2022-05-04 EP disclosed