SCHEMBL30795252

SCHEMBL30795252

CCSc1cc(N2CCOCC2)nc(C)c1C(=O)NCc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.45
NAPEPLD Q6IQ20 1/20 0.43
PIK3CB P42338 4/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CD O00329 2/20 0.42
SCD O00767 1/20 0.41
TACR1 P25103 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
CRHR2 Q13324 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
PIK3CG P48736 1/20 0.40
AKT1 P31749 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
SCHEMBL15734691 1.00 SRC (0.45) SRCNAPEPLDPIK3CBPIK3CAPIK3CD
SCHEMBL15733236 0.90 TP53 (0.46) NAPEPLDPIK3CBPIK3CAPIK3CDTACR1
SCHEMBL30796125 0.90 TP53 (0.46) NAPEPLDPIK3CBPIK3CAPIK3CDTACR1
SCHEMBL30795190 0.86 SRC (0.45) SRCNAPEPLDPIK3CBPIK3CAPIK3CD
SCHEMBL2130723 0.86 SRC (0.45) SRCNAPEPLDPIK3CBPIK3CAPIK3CD
SCHEMBL15733457 0.85 SRC (0.46) SRCSCD
SCHEMBL30795503 0.85 SRC (0.46) SRCSCD
SCHEMBL15733200 0.85 KDM4E (0.48) NAPEPLDPIK3CBPKMTSHRCRHBP
SCHEMBL15328404 0.84 SRC (0.49) SRCKLKB1KLK1
SCHEMBL30794521 0.84 SRC (0.44) SRCNAPEPLDPIK3CBPIK3CAPIK3CD

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