SCHEMBL30028274

SCHEMBL30028274

CC(F)(F)c1cnc(COc2cccc(Br)n2)s1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
CDK9 P50750 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA3 P34903 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
SCHEMBL24958798 1.00 HTR7 (0.42) HTR7RXRAGRIN1GRIN2BCDK9
SCHEMBL24958754 0.90 HTR7 (0.40) HTR7GABRA1GABRG2GABRB3GABRA3
SCHEMBL30028670 0.90 HTR7 (0.40) HTR7GABRA1GABRG2GABRB3GABRA3
SCHEMBL24956377 0.79 RXRA (0.30) RXRAGRIN1GRIN2B
SCHEMBL24958950 0.77 TRPM5 (0.45) HTR7CDK9DYRK1ADYRK2
SCHEMBL30029030 0.77 TRPM5 (0.45) HTR7CDK9DYRK1ADYRK2
SCHEMBL24956474 0.76 HTR7 (0.40) HTR7
SCHEMBL24959231 0.74 HTR7 (0.40) HTR7RXRAGRIN1GRIN2BGABRA1
SCHEMBL24958881 0.74 HTR7 (0.40) HTR7
SCHEMBL30031323 0.73 HTR7 (0.43) HTR7RXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4271674-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
EP-4271672-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
WO-2022225941-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-27 WO disclosed
WO-2022225914-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-27 WO disclosed