SCHEMBL30795778

SCHEMBL30795778

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.38
GPR88 Q9GZN0 1/20 0.36
SLC6A9 P48067 3/20 0.36
AOC3 Q16853 2/20 0.35
SLC7A5 Q01650 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX5 P09917 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNK2 O95069 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL30795809 0.85 EPHX1 (0.38) EPHX1SLC6A9CYP1A2CYP2D6PKM
SCHEMBL30795605 0.81 EPHX1 (0.40) EPHX1SLC6A9SLC7A5CYP1A2CYP2D6
SCHEMBL30795511 0.75 SLC6A2 (0.40) EPHX1SLC6A9SLC6A2SLC6A4SLC6A3
SCHEMBL7507142 0.75 CYP1A2 (0.42) EPHX1SLC6A9SLC7A5SLC6A2SLC6A4
SCHEMBL1835163 0.69 ADRB1 (0.51)
SCHEMBL3458611 0.69 EPHX1 (0.43) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL16963125 0.68 GSR (0.49) SLC7A5SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL27835347 0.68 TAAR1 (0.46) SLC7A5SLC6A2SLC6A4SLC6A3KCNK2
SCHEMBL3662060 0.67 CYP1A2 (0.55) EPHX1SLC7A5CYP1A2PKM
SCHEMBL2846532 0.67 CYP1A2 (0.55) EPHX1SLC7A5CYP1A2PKM

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