SCHEMBL30795306

SCHEMBL30795306

CCCCCCCNC(=O)c1c(C)cc(N2CCOCC2)nc1SCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPEPLD Q6IQ20 3/20 0.49
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ GAA P10253 5/20 0.47
▸ HPGD P15428 5/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ THRB P10828 2/20 0.43
▸ GLA P06280 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CASP1 P29466 2/20 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
SCHEMBL30794547 1.00 NAPEPLD (0.49) NAPEPLDALDH1A1KDM4EGAAHPGD
SCHEMBL2130124 1.00 NAPEPLD (0.49) NAPEPLDALDH1A1KDM4EGAAHPGD
SCHEMBL2129036 1.00 NAPEPLD (0.49) NAPEPLDALDH1A1KDM4EGAAHPGD
SCHEMBL2130356 0.99 ALDH1A1 (0.48) NAPEPLDALDH1A1KDM4EGAAHPGD
SCHEMBL30795607 0.99 ALDH1A1 (0.48) NAPEPLDALDH1A1KDM4EGAAHPGD
SCHEMBL2131119 0.96 ALDH1A1 (0.51) NAPEPLDALDH1A1KDM4EGAAHPGD
SCHEMBL2130364 0.90 RAB9A (0.42) NAPEPLDALDH1A1KDM4EGAAHPGD
SCHEMBL2134391 0.89 RAB9A (0.43) NAPEPLDALDH1A1KDM4EGAAHPGD
SCHEMBL2129490 0.89 KDM4E (0.53) NAPEPLDALDH1A1KDM4EGAAHPGD
SCHEMBL30794627 0.89 KDM4E (0.53) NAPEPLDALDH1A1KDM4EGAAHPGD

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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