SCHEMBL20713655

SCHEMBL20713655

CC(C)(C)OC(=O)N(Br)c1nccc2cc(C=O)ccc12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 11/20 0.35
SSTR4 P31391 1/20 0.32
GRM4 Q14833 2/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GRM2 Q14416 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
SCHEMBL20705133 0.88 NR1H4 (0.36) NR1H4SSTR4GRM4POLBALDH1A1
SCHEMBL20705274 0.82 NR1H4 (0.37) NR1H4
SCHEMBL20713785 0.79 NR1H4 (0.39) NR1H4SSTR4GRM2
SCHEMBL7214930 0.79 PDPK1 (0.35) SSTR4POLBALDH1A1
SCHEMBL22264109 0.73 FBP1 (0.38) NR1H4ALDH1A1
SCHEMBL20705108 0.73 FBP1 (0.38) NR1H4ALDH1A1
SCHEMBL24493279 0.72 NCEH1 (0.42) NR1H4SSTR4POLB
SCHEMBL29650188 0.72 NCEH1 (0.42) NR1H4SSTR4POLB
SCHEMBL27760076 0.71 PLAU (0.41) NR1H4SSTR4GRM4POLB
SCHEMBL1438293 0.71 PDPK1 (0.36) NR1H4SSTR4GRM4GRM2

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
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed