SCHEMBL10779532

SCHEMBL10779532

COC(=O)C(CCCC(=O)c1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 18/20 0.64
▸ LMNA P02545 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ ACE2 Q9BYF1 5/20 0.51
▸ REN P00797 1/20 0.47

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
SCHEMBL10778950 0.94 ACE (0.55) ACELMNASMN1; SMN2ACE2
SCHEMBL10968973 0.88 ACE (0.57) ACELMNASMN1; SMN2ACE2
SCHEMBL10972032 0.85 ACE (0.74) ACELMNASMN1; SMN2ACE2REN
SCHEMBL11205558 0.84 ACE (0.87) ACELMNASMN1; SMN2
SCHEMBL11203453 0.84 ACE (0.87) ACELMNASMN1; SMN2
SCHEMBL11209208 0.84 ACE (0.87) ACELMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL10971638 0.82 ACE (0.70) ACELMNASMN1; SMN2ACE2
SCHEMBL10778971 0.82 ACE (0.64) ACELMNASMN1; SMN2
SCHEMBL10971911 0.81 ACE (0.70) ACELMNASMN1; SMN2ACE2REN
SCHEMBL3368988 0.81 ACE (0.74) ACELMNASMN1; SMN2ACE2

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-0084941-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-11 — — EP claimed
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