SCHEMBL30794819

SCHEMBL30794819

CC(NC(=O)[C@H]1CC1c1ccccc1)c1cccc(-c2cccnc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.52
KCNQ3 O43525 2/20 0.47
KCNQ2 O43526 2/20 0.47
KCNQ4 P56696 1/20 0.45
KCNQ5 Q9NR82 1/20 0.45
DGAT2 Q96PD7 2/20 0.44
MGAT2 Q10469 1/20 0.44
CYP3A4 P08684 1/20 0.43
TRPM5 Q9NZQ8 1/20 0.43
SCN9A Q15858 1/20 0.43
ROCK2 O75116 2/20 0.42
PRKG1 Q13976 1/20 0.42
FFAR1 O14842 1/20 0.41
ABL1 P00519 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GPR88 Q9GZN0 2/20 0.40
GRIA2 P42262 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL5848488 1.00 CHRNA7 (0.52) CHRNA7KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL5676107 0.89 CHRNA7 (0.39) CHRNA7KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL30796524 0.89 CHRNA7 (0.39) CHRNA7KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL5847724 0.82 CHRNA7 (0.55) CHRNA7KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL30795745 0.82 CHRNA7 (0.55) CHRNA7KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL15807217 0.80 KCNQ3 (0.57) CHRNA7KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL15799207 0.77 KCNQ3 (0.72) CHRNA7KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL5849183 0.77 CYP3A4 (0.47) CHRNA7CYP3A4ROCK2PRKG1
SCHEMBL30795863 0.77 CYP3A4 (0.47) CHRNA7CYP3A4ROCK2PRKG1
SCHEMBL5888661 0.75 ENPP2 (0.48)

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 3 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
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed