SCHEMBL30794668

SCHEMBL30794668

CCCCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.44
NAPEPLD Q6IQ20 3/20 0.41
PIK3CA P42336 4/20 0.41
PIK3CB P42338 4/20 0.41
PIK3CD O00329 3/20 0.41
PIK3CG P48736 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL2130263 1.00 SRC (0.44) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL2128514 0.95 SRC (0.45) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL2130723 0.92 SRC (0.45) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL30795190 0.92 SRC (0.45) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL2711909 0.90 NAPEPLD (0.44) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL30794521 0.90 SRC (0.44) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL2129031 0.90 SRC (0.44) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL2128378 0.90 SRC (0.44) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL2130046 0.89 SRC (0.44) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL2129409 0.89 SRC (0.47) SRCNAPEPLDPIK3CAPIK3CBPIK3CD

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