SCHEMBL7380978

SCHEMBL7380978

CC(CSC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.52
KMT2A Q03164 1/20 0.52
ACE2 Q9BYF1 3/20 0.43

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
SCHEMBL11282285 0.96 ACE (0.49) ACEKMT2A
SCHEMBL10943170 0.88 ACE (0.43) ACEKMT2A
SCHEMBL7373250 0.86 KLK5 (0.45) ACE
SCHEMBL10954711 0.86 ACE (0.62) ACEKMT2AACE2
SCHEMBL10508293 0.86 ACE (0.62) ACEKMT2AACE2
SCHEMBL7378528 0.86 ACE (0.62) ACEKMT2AACE2
SCHEMBL11549184 0.84 KLK5 (0.47) ACEACE2
SCHEMBL11546123 0.84 KLK5 (0.42) ACEACE2
SCHEMBL11387102 0.83 KLK5 (0.47) ACEACE2
SCHEMBL11387234 0.83 KLK5 (0.47) ACEACE2

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
US-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US disclosed
US-4046889-A HYPOTENSIVE AGENTS, ENZYME INHIBITORS, ANGIOTENSIN CONVERSION E. R. SQUIBB & SONS, INC. (US) 1977-09-06 US disclosed