SCHEMBL30795809

SCHEMBL30795809

CC(C)(C)CC(CC(OC(F)(F)F)c1ccccc1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.34
SLC6A9 P48067 1/20 0.34
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33

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
SCHEMBL30795778 0.85 EPHX1 (0.38) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL30795605 0.82 EPHX1 (0.40) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL30795511 0.79 SLC6A2 (0.40) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL7507142 0.73 CYP1A2 (0.42) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL3458611 0.70 EPHX1 (0.43) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL16963125 0.69 GSR (0.49) CYP1A2CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL27835347 0.69 TAAR1 (0.46)
SCHEMBL28343846 0.67 PABPC1 (0.51) KMT2A
SCHEMBL28343847 0.67 PABPC1 (0.51) KMT2A
SCHEMBL15716450 0.66 GAA (0.46) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2

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 2 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
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed