SCHEMBL30794641

SCHEMBL30794641

CCN(CC)c1nc2ccc(F)cc2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
MPO P05164 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
CASR P41180 2/20 0.37
EGFR P00533 1/20 0.37
RAB9A P51151 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
IDO2 Q6ZQW0 2/20 0.36
CASP3 P42574 1/20 0.35
PLA2G2A P14555 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2749389 1.00 ALDH1A1 (0.41) ALDH1A1HTTLMNAMPOMEN1
SCHEMBL2749291 0.92 ALDH1A1 (0.40) ALDH1A1HTTLMNAMPOMEN1
SCHEMBL30795556 0.92 ALDH1A1 (0.40) ALDH1A1HTTLMNAMPOMEN1
SCHEMBL2749696 0.92 ALDH1A1 (0.39) ALDH1A1HTTLMNAMPOMEN1
SCHEMBL30794740 0.92 ALDH1A1 (0.39) ALDH1A1HTTLMNAMPOMEN1
SCHEMBL30795760 0.92 GPR139 (0.39) ALDH1A1HTTLMNAMPOMEN1
SCHEMBL2749927 0.92 GPR139 (0.39) ALDH1A1HTTLMNAMPOMEN1
SCHEMBL2750503 0.91 ALDH1A1 (0.40) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL2750428 0.91 ALDH1A1 (0.48) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL2751205 0.90 ALDH1A1 (0.50) ALDH1A1HTTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed