SCHEMBL29909475

SCHEMBL29909475

CNc1cc(F)cc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
HTR2B P41595 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL19089348 1.00 HTR6 (0.39) HTR6HTR2BRAPGEF4CHRNB4CHRNA3
SCHEMBL463544 0.82 RAPGEF4 (0.44) RAPGEF4
SCHEMBL1109742 0.82 HTR6 (0.44) HTR6RAPGEF4
SCHEMBL5506973 0.82 RAPGEF4 (0.39) HTR6RAPGEF4
SCHEMBL14895190 0.76 HTR2B (0.39) HTR2BCHRNB4CHRNA3MAPTHTT
SCHEMBL19089354 0.76 HTR2B (0.36) HTR2BCHRNB4CHRNA3MAPTHTT
SCHEMBL31373114 0.76 HTR2B (0.39) HTR2BCHRNB4CHRNA3MAPTHTT
SCHEMBL21240055 0.76 HTR2B (0.33) HTR2BRAPGEF4
SCHEMBL12684720 0.76 TDP1 (0.37) HTR2BRAPGEF4CHRNB4CHRNA3HTT
SCHEMBL16181574 0.73 RAPGEF4 (0.48) RAPGEF4MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359413-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-05-01 EP disclosed
WO-2022271650-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed