SCHEMBL28918703

SCHEMBL28918703

CCCCCC(=O)N1CCC[C@H]1C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 9/20 0.57
▸ ACE2 Q9BYF1 5/20 0.57
▸ OPRM1 P35372 2/20 0.48
▸ OPRD1 P41143 2/20 0.48
▸ DPP4 P27487 1/20 0.44
▸ PRCP P42785 1/20 0.44
▸ NMUR2 Q9GZQ4 1/20 0.44
▸ NMUR1 Q9HB89 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ F2 P00734 1/20 0.44

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
SCHEMBL21302922 1.00 ACE (0.57) ACEACE2OPRM1OPRD1DPP4
SCHEMBL28918729 0.99 ACE (0.58) ACEACE2OPRM1OPRD1DPP4
SCHEMBL18373911 0.99 ACE (0.58) ACEACE2OPRM1OPRD1DPP4
SCHEMBL28918708 0.99 ACE (0.58) ACEACE2OPRM1OPRD1DPP4
SCHEMBL28918671 0.99 ACE (0.58) ACEACE2OPRM1OPRD1DPP4
SCHEMBL28748915 0.99 ACE (0.58) ACEACE2OPRM1OPRD1DPP4
SCHEMBL28748865 0.98 ACE (0.57) ACEACE2OPRM1OPRD1DPP4
SCHEMBL31109309 0.98 ACE (0.57) ACEACE2OPRM1OPRD1DPP4
SCHEMBL28748878 0.98 ACE (0.57) ACEACE2OPRM1OPRD1DPP4
SCHEMBL24519196 0.97 ACE (0.54) ACEACE2OPRM1OPRD1DPP4

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
CN-115368438-A Pyrrolidine amide derivatives and methods of making and using the same 成均馆大学校产学协力团 2022-11-22 — — CN disclosed
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