SCHEMBL11314532

SCHEMBL11314532

C[C@H](NC(=O)C(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 2/20 0.58
▸ ACE P12821 10/20 0.57
▸ REN P00797 1/20 0.52
▸ ACE2 Q9BYF1 5/20 0.52
▸ LMNA P02545 1/20 0.51
▸ CTSD P07339 1/20 0.49
▸ CTSE P14091 1/20 0.49
▸ BACE1 P56817 1/20 0.49
▸ ELANE P08246 1/20 0.49
▸ KLK5 Q9Y337 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ LTA4H P09960 2/20 0.48

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
SCHEMBL11314535 1.00 PREP (0.58) PREPACERENACE2LMNA
SCHEMBL11313575 0.89 KLK5 (0.61) ACEACE2LMNAKLK5
SCHEMBL11313573 0.89 KLK5 (0.61) ACEACE2LMNAKLK5
SCHEMBL8611219 0.88 PREP (0.67) PREPACERENACE2LMNA
SCHEMBL8611215 0.88 PREP (0.67) PREPACERENACE2LMNA
SCHEMBL7871516 0.88 PREP (0.72) PREPACEACE2LMNAELANE
SCHEMBL7334484 0.88 PREP (0.72) PREPACEACE2LMNAELANE
SCHEMBL22209468 0.88 PREP (0.72) PREPACEACE2LMNAELANE
SCHEMBL10657907 0.84 PREP (0.67) PREPACEACE2LMNAELANE
SCHEMBL9438697 0.84 PREP (0.67) PREPACEACE2LMNAELANE

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-4293481-A AND USEFUL AS HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-10-06 — — US claimed
US-4293481-A AND USEFUL AS HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-10-06 — — US disclosed
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