SCHEMBL10778616

SCHEMBL10778616

C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(C(S)CS)C[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 2/20 0.52
▸ ACE P12821 7/20 0.47
▸ CTRB1 P17538 2/20 0.45
▸ CAPN1 P07384 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
SCHEMBL13928545 0.84 PREP (0.56) PREPACECAPN1
SCHEMBL13950861 0.84 PREP (0.56) PREPACECAPN1
SCHEMBL10777993 0.82 CTRB1 (0.47) PREPCTRB1
SCHEMBL7334484 0.77 PREP (0.72) PREPACE
SCHEMBL22209468 0.77 PREP (0.72) PREPACE
SCHEMBL7871516 0.77 PREP (0.72) PREPACE
SCHEMBL5711352 0.76 PREP (0.57) PREPACECAPN1
SCHEMBL9438697 0.76 PREP (0.67) PREPACE
SCHEMBL9438701 0.76 PREP (0.67) PREPACE
SCHEMBL9438980 0.76 PREP (0.67) PREPACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0052991-B1 CARBOXYALKYL AMINO ACID DERIVATIVES OF VARIOUS SUBSTITUTED PROLINES E.R. Squibb & Sons, Inc. (US) 1987-02-04 — — EP disclosed
US-4462943-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-07-31 — — US disclosed
EP-0052991-A1 Carboxyalkyl amino acid derivatives of various substituted prolines E.R. Squibb & Sons, Inc. (US) 1982-06-02 — — EP disclosed
Send feedback