SCHEMBL30795738

SCHEMBL30795738

CCCn1c(=O)c(C(=O)NCc2cccc(F)c2)c(C)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 2/20 0.47
▸ MAPT P10636 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CCR1 P32246 2/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ MLYCD O95822 1/20 0.41
▸ GLS O94925 1/20 0.41

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
SCHEMBL715295 1.00 S1PR3 (0.47) S1PR3MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL29667 0.95 POLB (0.50) S1PR3MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL30795727 0.95 POLB (0.50) S1PR3MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL29819 0.94 CNR2 (0.47) S1PR3MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL30795913 0.94 CNR2 (0.47) S1PR3MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL29002 0.93 S1PR3 (0.45) S1PR3MAPTCCR1PDE10AROCK2
SCHEMBL30795875 0.93 S1PR3 (0.45) S1PR3MAPTCCR1PDE10AROCK2
SCHEMBL716049 0.93 S1PR3 (0.50) S1PR3MAPTHTTALDH1A1ALOX12
SCHEMBL30795805 0.93 S1PR3 (0.50) S1PR3MAPTHTTALDH1A1ALOX12
SCHEMBL30795406 0.91 S1PR3 (0.46) S1PR3MAPTHTTSMN1; SMN2ALDH1A1

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
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