SCHEMBL11558591

SCHEMBL11558591

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
PRCP P42785 2/20 0.38
DPP7 Q9UHL4 1/20 0.36
TLR2 O60603 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SCN4A P35499 1/20 0.33
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL11560633 0.83 CYP3A4 (0.36) PRCPDPP7SCN4ADPP4DPP8
SCHEMBL11559604 0.82 NOS2 (0.41) PRCPDPP7TLR2SCN4ADPP4
SCHEMBL16774368 0.81 SOAT1 (0.45) SLC6A2SLC6A3SLC6A4PRCPDPP7
SCHEMBL25413989 0.81 SOAT1 (0.45) SLC6A2SLC6A3SLC6A4PRCPDPP7
SCHEMBL9592134 0.81 NOS2 (0.37) PRCPDPP7TLR2SCN4ADPP4
SCHEMBL10829027 0.81 PRCP (0.45) SLC6A2SLC6A3SLC6A4PRCPDPP7
SCHEMBL115996 0.81 PRCP (0.45) SLC6A2SLC6A3SLC6A4PRCPDPP7
SCHEMBL133135 0.81 PRCP (0.45) SLC6A2SLC6A3SLC6A4PRCPDPP7
SCHEMBL3330660 0.81 PRCP (0.45) SLC6A2SLC6A3SLC6A4PRCPDPP7
SCHEMBL4667895 0.80 PRCP (0.40) SLC6A2SLC6A3SLC6A4PRCPDPP7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4154937-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4128653-A Reduction of blood pressure with carboxyalkylacyl-pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-12-05 US disclosed
US-4086338-A HYPOTENSIVE AGENTS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1978-04-25 US disclosed
US-4052511-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1977-10-04 US disclosed