SCHEMBL7380845

SCHEMBL7380845

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
TLR2 O60603 2/20 0.33
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
DPP4 P27487 4/20 0.32
SCN4A P35499 1/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
ELANE P08246 1/20 0.31
FAP Q12884 1/20 0.31

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
SCHEMBL11382094 0.85 PRCP (0.37) PRCPDPP7TLR2NOS2NOS3
SCHEMBL11558601 0.82 PRCP (0.34) PRCPDPP7TLR2NOS2CYP1A2
SCHEMBL11450387 0.81 HTR2C (0.35) PRCPDPP7NOS2NOS3NOS1
SCHEMBL9362980 0.80 PRCP (0.44) PRCPDPP7TLR2NOS2NOS3
SCHEMBL30265157 0.80 PRCP (0.44) PRCPDPP7TLR2NOS2NOS3
SCHEMBL7380818 0.80 PRCP (0.33) PRCPDPP7TLR2CYP1A2CYP3A4
SCHEMBL7378973 0.80 NOS2 (0.35) PRCPDPP7TLR2NOS2NOS3
SCHEMBL3662902 0.79 NOS2 (0.37) PRCPDPP7NOS2NOS3NOS1
SCHEMBL542283 0.79 NOS2 (0.39) PRCPDPP7NOS2NOS3NOS1
SCHEMBL3489282 0.78 NOS2 (0.35) PRCPDPP7TLR2NOS2NOS3

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