SCHEMBL7271897

SCHEMBL7271897

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.53
▸ FKBP1A P62942 9/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ REN P00797 1/20 0.47
▸ PREP P48147 2/20 0.47
▸ DPP4 P27487 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ CTRB1 P17538 1/20 0.44
▸ ACE2 Q9BYF1 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
SCHEMBL7523931 0.92 ACE (0.52) ACERENPREPDPP4DPP8
SCHEMBL7264396 0.90 KDM4E (0.51) ACEALDH1A1TSHRRENPREP
SCHEMBL7273181 0.90 ACE (0.50) ACEALDH1A1CYP3A4TSHRREN
SCHEMBL7271905 0.88 ACE (0.49) ACEALDH1A1TSHRRENPREP
SCHEMBL7273358 0.88 ACE (0.49) ACEALDH1A1CYP3A4TSHRREN
SCHEMBL11794997 0.88 ACE (0.48) ACEALDH1A1CYP3A4TSHRREN
SCHEMBL11791864 0.87 ACE (0.49) ACEALDH1A1CYP3A4TSHRREN
Hydrochloric Acid SCHEMBL10725183 0.86 FKBP1A (0.47) ACEFKBP1ADPP4DPP8
SCHEMBL7271844 0.86 PRCP (0.53) ACEFKBP1ACYP3A4TSHRREN
SCHEMBL11585814 0.86 ACE (0.49) ACECYP3A4TSHRRENPREP

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-0123444-A1 4-Substituted-2-azetidinone compound, process of producing the compounds, and medicaments containing the compounds YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1984-10-31 — — EP disclosed
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