SCHEMBL21299170

SCHEMBL21299170

NC(C=O)Cc1cscn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.39
▸ DPP8 Q6V1X1 2/20 0.39
▸ DPP9 Q86TI2 2/20 0.39
▸ SLC6A3 Q01959 9/20 0.37
▸ CAPN1 P07384 1/20 0.34
▸ OPRD1 P41143 1/20 0.33
▸ GPR142 Q7Z601 3/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PRKCI P41743 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
SCHEMBL1696695 1.00 DPP4 (0.39) DPP4DPP8DPP9SLC6A3CAPN1
SCHEMBL2639846 1.00 DPP4 (0.39) DPP4DPP8DPP9SLC6A3CAPN1
SCHEMBL22144945 0.81 DPP4 (0.39) DPP4DPP8DPP9SLC6A3CAPN1
SCHEMBL16297957 0.78 SLC6A3 (0.41) DPP4DPP8DPP9SLC6A3CAPN1
SCHEMBL13342875 0.75 — —
SCHEMBL16889011 0.75 — —
SCHEMBL13342874 0.75 — —
SCHEMBL2639842 0.74 DPP4 (0.41) DPP4DPP8DPP9SLC6A3CAPN1
SCHEMBL1696692 0.74 DPP4 (0.41) DPP4DPP8DPP9SLC6A3CAPN1
SCHEMBL1696690 0.74 DPP4 (0.41) DPP4DPP8DPP9SLC6A3CAPN1

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-2229138-B1 TOPICAL COMPOSITIONS COMPRISING NON-PROTEOGENIC AMINO ACIDS AND METHODS OF TREATING SKIN AVON PROD INC (US) 2019-08-28 — — EP disclosed
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