SCHEMBL7384758

SCHEMBL7384758

CC(C)(C)OC(=O)C1CCCN1.CC(C)(C)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.37
SCN3A Q9NY46 1/20 0.37
SCN5A Q14524 1/20 0.37
DPP4 P27487 6/20 0.36
DPP8 Q6V1X1 4/20 0.36
DPP9 Q86TI2 4/20 0.36
FAP Q12884 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
PRCP P42785 1/20 0.36
SCN4A P35499 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR2C P28335 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
SCHEMBL7384762 1.00 SCN9A (0.37) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL40093 0.95 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL248746 0.95 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL248747 0.95 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4DPP8
Hydrochloric Acid SCHEMBL661790 0.93 NOS2 (0.38) SCN9ASCN3ASCN5ADPP4DPP8
Bromide SCHEMBL27517782 0.93 NOS2 (0.38) SCN9ASCN3ASCN5ADPP4DPP8
Hydrochloric Acid SCHEMBL596114 0.93 NOS2 (0.38) SCN9ASCN3ASCN5ADPP4DPP8
Hydrochloric Acid SCHEMBL661789 0.93 NOS2 (0.38) SCN9ASCN3ASCN5ADPP4DPP8
Oxalic Acid SCHEMBL9353931 0.90 DPP4 (0.40) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL2804278 0.90 SCN9A (0.39) SCN9ASCN3ASCN5ADPP4DPP8

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-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