SCHEMBL7373155

SCHEMBL7373155

O=C(SCCCC(=O)N1CCC[C@H]1C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.57
▸ ACE P12821 9/20 0.55
▸ ACE2 Q9BYF1 2/20 0.54
▸ DPP4 P27487 1/20 0.53
▸ CHRM2 P08172 1/20 0.50
▸ CHRM4 P08173 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ CHRM3 P20309 1/20 0.50

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
SCHEMBL7373956 0.93 KMT2A (0.65) KMT2AACEACE2DPP4CHRM2
SCHEMBL7380774 0.85 ACE (0.59) KMT2AACEACE2CHRM2CHRM4
SCHEMBL11545165 0.82 ACE (0.53) ACEACE2DPP4CHRM2CHRM4
SCHEMBL11162378 0.82 ACE (0.61) ACEACE2DPP4CHRM2CHRM4
SCHEMBL7386490 0.81 ACE (0.57) ACEACE2DPP4CHRM2CHRM4
SCHEMBL16967407 0.79 ACE (0.54) ACE
SCHEMBL11153893 0.79 PREP (0.67) ACEACE2DPP4CHRM2CHRM4
SCHEMBL5741652 0.78 MEN1 (0.63) KMT2AACEACE2CHRM2CHRM4
Water SCHEMBL5570206 0.78 ACE (0.52) ACE
SCHEMBL7330019 0.78 MEN1 (0.63) KMT2AACEACE2CHRM2CHRM4

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
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