SCHEMBL11546266

SCHEMBL11546266

CCOC(=O)SC(C)CC(=O)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.33
DPP7 Q9UHL4 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 2/20 0.32
TLR2 O60603 2/20 0.31
CYP2D6 P10635 1/20 0.31
DPP4 P27487 3/20 0.31
DPP8 Q6V1X1 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7380818 0.85 PRCP (0.33) PRCPDPP7TLR2CYP2D6MEN1
SCHEMBL11546726 0.80 GHSR (0.38) CYP2D6DPP4DPP8
SCHEMBL11545180 0.78 PRCP (0.34) PRCPDPP7SLC6A2SLC6A3SLC6A4
SCHEMBL11546816 0.77 PRCP (0.33) PRCPDPP7SLC6A2SLC6A3SLC6A4
SCHEMBL11618241 0.76 PRCP (0.38) PRCPDPP7SLC6A2SLC6A3SLC6A4
SCHEMBL7380845 0.76 PRCP (0.35) PRCPDPP7TLR2CYP2D6DPP4
SCHEMBL9362980 0.75 PRCP (0.44) PRCPDPP7TLR2DPP4DPP8
SCHEMBL30265157 0.75 PRCP (0.44) PRCPDPP7TLR2DPP4DPP8
SCHEMBL11378883 0.75 PRCP (0.34) PRCPDPP7TLR2
SCHEMBL11558591 0.75 SLC6A2 (0.39) PRCPDPP7SLC6A2SLC6A3SLC6A4

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