SCHEMBL11545876

SCHEMBL11545876

O=C(SCCC(=O)N1CCC[C@H]1C(=O)O)SCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 14/20 0.55
▸ ACE2 Q9BYF1 3/20 0.50
▸ CHRM2 P08172 1/20 0.49
▸ CHRM4 P08173 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ IDO1 P14902 1/20 0.46

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
SCHEMBL11545165 0.93 ACE (0.53) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL11548225 0.83 ACE (0.55) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL7386490 0.82 ACE (0.57) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL7373956 0.81 KMT2A (0.65) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL11550932 0.81 ACE (0.58) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL11547640 0.81 ACE (0.58) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL11551718 0.80 ACE (0.51) ACEACE2
SCHEMBL3144462 0.79 ACE (0.64) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL5742165 0.79 ACE (0.64) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL11551733 0.79 ACE (0.60) 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 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
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