SCHEMBL11547640

SCHEMBL11547640

O=C(O)[C@@H]1CCCN1C(=O)CCSCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 15/20 0.58
ACE2 Q9BYF1 3/20 0.53
F2 P00734 1/20 0.53
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52

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
SCHEMBL11550932 0.90 ACE (0.58) ACEACE2F2CHRM2CHRM4
SCHEMBL5742165 0.88 ACE (0.64) ACEACE2F2CHRM2CHRM4
SCHEMBL3144462 0.88 ACE (0.64) ACEACE2F2CHRM2CHRM4
SCHEMBL11548225 0.86 ACE (0.55) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL7330019 0.85 MEN1 (0.63) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL5741647 0.85 MEN1 (0.63) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL5741652 0.85 MEN1 (0.63) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL5742774 0.84 ACE (0.60) ACEACE2
SCHEMBL5742769 0.84 ACE (0.60) ACEACE2
SCHEMBL14645896 0.84 ACE (0.59) ACEACE2F2CHRM2CHRM4

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-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