SCHEMBL30794884

SCHEMBL30794884

CCSc1nc(N2CCO[C@@H](CO)C2)cc(C)c1C(=O)NCc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SRC P12931 1/20 0.39
AOC3 Q16853 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
MMP13 P45452 1/20 0.38
PDE5A O76074 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCD O00767 1/20 0.37
CHRM4 P08173 1/20 0.37
POLB P06746 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL2130547 1.00 AKT1 (0.39) AKT1ALDH1A1LMNAHPGDSRC
SCHEMBL30795620 1.00 AKT1 (0.39) AKT1ALDH1A1LMNAHPGDSRC
SCHEMBL2130073 1.00 AKT1 (0.39) AKT1ALDH1A1LMNAHPGDSRC
SCHEMBL30814178 0.94 AKT1 (0.43) AKT1ALDH1A1LMNAHPGDSRC
SCHEMBL2129064 0.94 AKT1 (0.43) AKT1ALDH1A1LMNAHPGDSRC
SCHEMBL2727178 0.92 LMNA (0.38) AKT1ALDH1A1LMNAHPGDSRC
SCHEMBL30796613 0.92 LMNA (0.38) AKT1ALDH1A1LMNAHPGDSRC
SCHEMBL2129873 0.92 LMNA (0.38) AKT1ALDH1A1LMNAHPGDSRC
SCHEMBL30796257 0.92 LMNA (0.38) AKT1ALDH1A1LMNAHPGDSRC
SCHEMBL2129902 0.92 LMNA (0.38) AKT1ALDH1A1LMNAHPGDSRC

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