SCHEMBL7271349

SCHEMBL7271349

O=C(O)[C@@H]1CC(CF)CN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.58
CYP1A2 P05177 3/20 0.52
ALOX15 P16050 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2D6 P10635 3/20 0.52
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
THRB P10828 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43

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
SCHEMBL15011990 1.00 ARG1 (0.58) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL26135483 1.00 ARG1 (0.58) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL30571902 0.82 ARG1 (0.40) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL5197240 0.81 ARG1 (0.60) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL3675363 0.81 ARG1 (0.59) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL1512874 0.81 ARG1 (0.59) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL3675362 0.81 ARG1 (0.59) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL1512877 0.81 ARG1 (0.59) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL3676541 0.81 ARG1 (0.59) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL4302105 0.81 ARG1 (0.59) ARG1CYP1A2ALOX15CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed