SCHEMBL27906704

SCHEMBL27906704

NCCCCC(Nc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.61
▸ DPP8 Q6V1X1 3/20 0.46
▸ DPP4 P27487 2/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ STAT6 P42226 1/20 0.46
▸ DPP7 Q9UHL4 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
SCHEMBL27890162 1.00 ACE (0.61) ACEDPP8DPP4ACE2STAT6
SCHEMBL11225012 0.89 ACE (0.68) ACE
SCHEMBL27890168 0.83 ACE (0.61) ACEDPP8DPP4
SCHEMBL27906706 0.83 ACE (0.61) ACEDPP8DPP4
SCHEMBL7330599 0.82 ACE (0.82) ACE
SCHEMBL27890164 0.80 ACE (0.73) ACEDPP8DPP4ACE2
SCHEMBL27890165 0.80 ACE (0.73) ACEDPP8DPP4ACE2
SCHEMBL10679400 0.79 ACE (0.66) ACEACE2
SCHEMBL9490722 0.79 DPP8 (0.54) ACEDPP8DPP4DPP7
SCHEMBL9490129 0.78 DPP8 (0.64) ACEDPP8DPP4STAT6DPP7

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
CN-102924567-A Peptide compound and preparation method and use of peptide compound SHANGHAI INST PHARM INDUSTRY 2013-02-13 — — CN claimed
CN-102924567-B Peptide compound and preparation method and use of peptide compound SHANGHAI INST PHARM INDUSTRY 2014-06-04 — — CN disclosed
CN-102924567-A Peptide compound and preparation method and use of peptide compound SHANGHAI INST PHARM INDUSTRY 2013-02-13 — — CN disclosed
Send feedback