SCHEMBL30795727

SCHEMBL30795727

CCCCn1c(=O)c(C(=O)NCc2cccc(F)c2)c(C)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
S1PR3 Q99500 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CNR2 P34972 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RORA P35398 1/20 0.44
RORC P51449 1/20 0.44
RORB Q92753 1/20 0.44
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL29667 1.00 POLB (0.50) POLBS1PR3ALDH1A1KDM4EUSP2
SCHEMBL30795913 0.97 CNR2 (0.47) POLBS1PR3ALDH1A1KDM4EUSP2
SCHEMBL29819 0.97 CNR2 (0.47) POLBS1PR3ALDH1A1KDM4EUSP2
SCHEMBL30795738 0.95 S1PR3 (0.47) POLBS1PR3ALDH1A1KDM4EUSP2
SCHEMBL715295 0.95 S1PR3 (0.47) POLBS1PR3ALDH1A1KDM4EUSP2
SCHEMBL30794729 0.92 S1PR3 (0.45) POLBS1PR3ALDH1A1LMNAHPGD
SCHEMBL29862 0.92 S1PR3 (0.45) POLBS1PR3ALDH1A1LMNAHPGD
SCHEMBL30795875 0.91 S1PR3 (0.45) S1PR3MAPTCCR1PDE10AGLS
SCHEMBL29002 0.91 S1PR3 (0.45) S1PR3MAPTCCR1PDE10AGLS
SCHEMBL30795805 0.91 S1PR3 (0.50) S1PR3ALDH1A1KDM4ELMNATSHR

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