SCHEMBL30795776

SCHEMBL30795776

CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCC(O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAPEPLD Q6IQ20 8/20 0.44
▸ PIK3CB P42338 5/20 0.43
▸ HTT P42858 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ RAF1 P04049 2/20 0.42
▸ BRAF P15056 2/20 0.42
▸ GBA1 P04062 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PRMT5 O14744 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
SCHEMBL2129561 1.00 NAPEPLD (0.44) NAPEPLDPIK3CBHTTPKMTSHR
SCHEMBL2128993 0.87 NAPEPLD (0.52) NAPEPLDPIK3CBHTTPKMTSHR
SCHEMBL2128718 0.86 LMNA (0.53) NAPEPLDPIK3CBHTTPKMTSHR
SCHEMBL30795161 0.86 NAPEPLD (0.39) NAPEPLDHTTRAF1BRAFGBA1
SCHEMBL30796087 0.86 LMNA (0.53) NAPEPLDPIK3CBHTTPKMTSHR
SCHEMBL2129762 0.86 NAPEPLD (0.39) NAPEPLDHTTRAF1BRAFGBA1
SCHEMBL2128423 0.84 NAPEPLD (0.53) NAPEPLDPIK3CBHTTPKMTSHR
SCHEMBL30795109 0.84 NAPEPLD (0.53) NAPEPLDPIK3CBHTTPKMTSHR
SCHEMBL2128945 0.83 NAPEPLD (0.41) NAPEPLDPIK3CBHTTPKMTSHR
SCHEMBL30796316 0.83 NAPEPLD (0.41) NAPEPLDPIK3CBHTTPKMTSHR

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
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