SCHEMBL9068708

SCHEMBL9068708

O=C(O)CCCCC(=O)NC(CS)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.73
CTRB1 P17538 3/20 0.60
ACE P12821 2/20 0.56

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
SCHEMBL9069271 0.99 MME (0.71) MMECTRB1ACE
SCHEMBL9069257 0.87 MME (0.62) MMEACE
SCHEMBL9069167 0.85 MME (0.60) MMEACE
SCHEMBL10780797 0.85 MME (0.60) MMECTRB1
SCHEMBL4325217 0.84 MME (1.00) MMECTRB1ACE
SCHEMBL4325212 0.84 MME (1.00) MMECTRB1ACE
SCHEMBL9068906 0.80 MME (0.54) MMEACE
SCHEMBL8837483 0.79 CTRB1 (0.73) MMECTRB1ACE
SCHEMBL8837460 0.79 MME (0.73) MMECTRB1
SCHEMBL15680283 0.79 NAALAD2 (0.64) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161769-B1 ENKEPHALINASE INHIBITORS E.R. Squibb & Sons, Inc. (US) 1987-10-28 EP claimed
EP-0161769-A1 Enkephalinase inhibitors E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP claimed
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed
EP-0161769-B1 ENKEPHALINASE INHIBITORS E.R. Squibb & Sons, Inc. (US) 1987-10-28 EP disclosed
EP-0161769-A1 Enkephalinase inhibitors E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed