SCHEMBL30794858

SCHEMBL30794858

CCOc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.49
BRAF P15056 12/20 0.48
RAF1 P04049 10/20 0.45
NAPEPLD Q6IQ20 1/20 0.45
TACR1 P25103 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
STAT3 P40763 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL2129740 1.00 MCHR1 (0.49) MCHR1BRAFRAF1NAPEPLDTACR1
SCHEMBL2129798 0.91 KCNQ3 (0.50) MCHR1BRAFRAF1NAPEPLDTACR1
SCHEMBL30795711 0.91 KCNQ3 (0.50) MCHR1BRAFRAF1NAPEPLDTACR1
SCHEMBL30794912 0.90 KCNQ3 (0.51) NAPEPLDGAALMNATP53THRB
SCHEMBL2127927 0.90 KCNQ3 (0.51) NAPEPLDGAALMNATP53THRB
SCHEMBL2129465 0.88 MEN1 (0.50) MCHR1NAPEPLDMAPTLMNATP53
SCHEMBL2129352 0.87 PPARG (0.49) BRAFRAF1LMNATP53THRB
SCHEMBL2130173 0.85 PIK3CG (0.43) BRAFRAF1NAPEPLDLMNATP53
SCHEMBL30795568 0.85 NAPEPLD (0.47) MCHR1BRAFRAF1NAPEPLDTACR1
SCHEMBL2130147 0.85 NAPEPLD (0.47) MCHR1BRAFRAF1NAPEPLDTACR1

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