SCHEMBL30794899

SCHEMBL30794899

CN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)CCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
ABCB11 O95342 1/20 0.46
ESR1 P03372 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
TBXA2R P21731 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CYP2C19 P33261 1/20 0.46
SHMT2 P34897 1/20 0.46
PTGS2 P35354 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL938834 1.00 ALOX15 (0.46) ALOX15KCNQ3KCNQ2ABCB11ESR1
SCHEMBL965107 0.92 KCNQ3 (0.46) ALOX15KCNQ3KCNQ2ABCB11ESR1
SCHEMBL30796400 0.91 KCNQ3 (0.47) ALOX15KCNQ3KCNQ2ABCB11ESR1
SCHEMBL956192 0.91 KCNQ3 (0.47) ALOX15KCNQ3KCNQ2ABCB11ESR1
SCHEMBL30796228 0.90 KCNQ2 (0.48) ALOX15KCNQ3KCNQ2ABCB11ESR1
SCHEMBL938659 0.90 KCNQ2 (0.48) ALOX15KCNQ3KCNQ2ABCB11ESR1
SCHEMBL965106 0.83 KCNQ3 (0.45) ALOX15KCNQ3KCNQ2ABCB11ESR1
SCHEMBL939819 0.83 KCNQ3 (0.50) ALOX15KCNQ3KCNQ2ABCB11ESR1
SCHEMBL30794958 0.83 KCNQ3 (0.50) ALOX15KCNQ3KCNQ2ABCB11ESR1
SCHEMBL965669 0.82 KCNQ2 (0.48) ALOX15KCNQ3KCNQ2ABCB11ESR1

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