SCHEMBL11545865

SCHEMBL11545865

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.56
REN P00797 1/20 0.48
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MVD P53602 2/20 0.44

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
SCHEMBL6788316 0.94 ACE (0.62) ACERENCHRM2CHRM4CHRM1
SCHEMBL6788307 0.94 ACE (0.62) ACERENCHRM2CHRM4CHRM1
SCHEMBL11546483 0.87 ACE (0.55) ACERENCHRM2CHRM4CHRM1
SCHEMBL6782701 0.82 ACE (0.72) ACERENMVD
SCHEMBL6782705 0.82 ACE (0.72) ACERENMVD
SCHEMBL9392065 0.81 ALDH1A1 (0.60) ACEREN
SCHEMBL11548796 0.81 ACE (0.49) ACERENCHRM2CHRM4CHRM1
SCHEMBL11550932 0.81 ACE (0.58) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL26644319 0.81 ACE (0.62) ACERENCHRM2CHRM4CHRM1
SCHEMBL11559272 0.80 ACE (0.66) ACERENCHRM2CHRM4CHRM1

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