SCHEMBL28918898

SCHEMBL28918898

CCCCCCCCCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.58
▸ ACE2 Q9BYF1 3/20 0.58
▸ OPRD1 P41143 8/20 0.56
▸ OPRM1 P35372 6/20 0.56
▸ FAAH O00519 2/20 0.51
▸ PRCP P42785 1/20 0.50
▸ NMUR2 Q9GZQ4 1/20 0.49
▸ NMUR1 Q9HB89 1/20 0.49

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
SCHEMBL18373944 1.00 ACE (0.58) ACEACE2OPRD1OPRM1FAAH
SCHEMBL20415532 0.95 OPRD1 (0.55) ACEACE2OPRD1OPRM1NMUR2
SCHEMBL28918691 0.92 ACE (0.52) ACEACE2OPRD1OPRM1FAAH
SCHEMBL18373952 0.92 ACE (0.52) ACEACE2OPRD1OPRM1FAAH
SCHEMBL28918692 0.91 ACE (0.51) ACEACE2OPRD1OPRM1NMUR2
SCHEMBL28918709 0.91 ACE (0.51) ACEACE2OPRD1OPRM1NMUR2
SCHEMBL18373949 0.90 ACE (0.56) ACEACE2OPRD1OPRM1FAAH
SCHEMBL28918719 0.90 ACE (0.56) ACEACE2OPRD1OPRM1FAAH
SCHEMBL28918708 0.89 ACE (0.58) ACEACE2OPRD1OPRM1FAAH
SCHEMBL28918729 0.89 ACE (0.58) ACEACE2OPRD1OPRM1FAAH

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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