SCHEMBL30794754

SCHEMBL30794754

CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.48
BRAF P15056 8/20 0.48
MAPK1 P28482 2/20 0.43
KCNK3 O14649 1/20 0.43
NAPEPLD Q6IQ20 1/20 0.41
CCR1 P32246 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CB P42338 2/20 0.40
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 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
SCHEMBL2130157 1.00 RAF1 (0.48) RAF1BRAFMAPK1KCNK3NAPEPLD
SCHEMBL30795323 0.91 NAMPT (0.44) RAF1BRAFNAPEPLD
SCHEMBL2130076 0.91 NAMPT (0.44) RAF1BRAFNAPEPLD
SCHEMBL30796012 0.89 PIK3CB (0.47) NAPEPLDALDH1A1PIK3CBPKMTSHR
SCHEMBL2130402 0.89 PIK3CB (0.47) NAPEPLDALDH1A1PIK3CBPKMTSHR
SCHEMBL2130221 0.88 PIK3CB (0.49) NAPEPLDPIK3CBPKMTSHRCRHBP
SCHEMBL2128993 0.88 NAPEPLD (0.52) NAPEPLDALDH1A1GAAPIK3CBPKM
SCHEMBL2130723 0.87 SRC (0.45) NAPEPLDALDH1A1PIK3CBPKMTSHR
SCHEMBL30795190 0.87 SRC (0.45) NAPEPLDALDH1A1PIK3CBPKMTSHR
SCHEMBL2129704 0.86 LMNA (0.52) NAPEPLDALDH1A1PIK3CBPKMTSHR

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