SCHEMBL10972032

SCHEMBL10972032

C[C@H](NC(CCC(=O)c1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 15/20 0.74
▸ LMNA P02545 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ACE2 Q9BYF1 4/20 0.55
▸ REN P00797 1/20 0.51

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
SCHEMBL10971911 0.89 ACE (0.70) ACELMNASMN1; SMN2ACE2REN
SCHEMBL10779532 0.85 ACE (0.64) ACELMNASMN1; SMN2ACE2REN
Enalaprilat Anhydrous SCHEMBL3090322 0.85 ACE (1.00) ACELMNASMN1; SMN2
Enalaprilat Anhydrous SCHEMBL2406720 0.85 ACE (1.00) ACELMNASMN1; SMN2
Enalaprilat Anhydrous SCHEMBL12737170 0.85 ACE (1.00) ACELMNASMN1; SMN2
Enalaprilat Anhydrous SCHEMBL24327564 0.85 ACE (1.00) ACELMNASMN1; SMN2
Enalaprilat Anhydrous SCHEMBL6106603 0.85 ACE (1.00) ACELMNASMN1; SMN2
Enalaprilat Anhydrous SCHEMBL11204535 0.85 ACE (1.00) ACELMNASMN1; SMN2
Enalaprilat Anhydrous SCHEMBL18033873 0.85 ACE (1.00) ACELMNASMN1; SMN2
Enalaprilat Anhydrous SCHEMBL37289 0.85 ACE (1.00) ACELMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4528282-A Amide derivatives IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-07-09 — — US disclosed
EP-0084941-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-03 — — EP disclosed
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