SCHEMBL30795667

SCHEMBL30795667

O=C(NCCO)c1cc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.55
EPHX2 P34913 4/20 0.46
RHOC P08134 4/20 0.44
RHOA P61586 4/20 0.44
TLR8 Q9NR97 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
METAP2 P50579 1/20 0.40
DDR1 Q08345 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
P2RX1 P51575 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39

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
SCHEMBL1578844 1.00 GPR52 (0.55) GPR52EPHX2RHOCRHOATLR8
SCHEMBL1578491 0.82 LMNA (0.40) GPR52RHOCRHOAMRGPRX4
SCHEMBL1578975 0.81 MRGPRX4 (0.57) GPR52EPHX2RHOCRHOAMRGPRX4
SCHEMBL30794508 0.81 MRGPRX4 (0.57) GPR52EPHX2RHOCRHOAMRGPRX4
SCHEMBL2511779 0.77 GLA (0.43) EPHX2RHOCRHOAMRGPRX4
SCHEMBL18950260 0.75 RHOC (0.41) RHOCRHOADDR1
SCHEMBL1578715 0.73 ICMT (0.39) RHOCRHOATLR8ALDH1A1
SCHEMBL449608 0.72 GSTO1 (0.58) ALDH1A1MAPT
SCHEMBL24349500 0.71 GPR52 (1.00) GPR52
SCHEMBL1578526 0.71 ERCC1 (0.42) ALDH1A1MAPT

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