SCHEMBL18985191

SCHEMBL18985191

CC(C)CO[C@@]1(C(=O)O)CCCN1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
SCHEMBL7340984 0.80 ARG1 (0.36) CYP2D6SLC6A2SLC6A4SLC6A3ARG1
SCHEMBL2339284 0.77 TSHR (0.36) CYP2D6SLC6A2SLC6A4SLC6A3ARG1
SCHEMBL6975551 0.77 ARG1 (0.33) CYP2D6SLC6A2SLC6A4SLC6A3ARG1
SCHEMBL7338385 0.74 ARG1 (0.35) ARG1ARG2
SCHEMBL7338721 0.74 ARG1 (0.35) ARG1ARG2
SCHEMBL7349345 0.72 SLC1A3 (0.35) ARG1ARG2
SCHEMBL7340979 0.72 ARG1 (0.33) ARG1ARG2
SCHEMBL7435814 0.72 MGAM (0.34) ARG1ARG2
SCHEMBL11395554 0.70 ARG1 (0.31) ARG1ARG2
SCHEMBL6547926 0.70 MEN1 (0.37) ARG1ARG2

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
EP-3390372-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2018-10-24 EP disclosed
WO-2017102275-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-06-22 WO disclosed