SCHEMBL30794468

SCHEMBL30794468

O=C(CC12CC3CC(CC(C3)C1)C2)Nn1nc(-c2ccc(C(F)(F)F)cc2)c2ccccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ TP53 P04637 2/20 0.43
▸ P2RX7 Q99572 5/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GLA P06280 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ AKR1B1 P15121 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
SCHEMBL1787781 1.00 KDM4E (0.44) KDM4ENPSR1MAPTTP53P2RX7
SCHEMBL30795179 0.89 KMT2A (0.49) KDM4EMAPTP2RX7KMT2AMEN1
SCHEMBL1786308 0.89 KMT2A (0.49) KDM4EMAPTP2RX7KMT2AMEN1
SCHEMBL30796191 0.87 P2RX7 (0.43) KDM4ENPSR1MAPTP2RX7KMT2A
SCHEMBL30794730 0.87 RAB9A (0.48) NPSR1TP53P2RX7POLBKMT2A
SCHEMBL1788965 0.87 RAB9A (0.48) NPSR1TP53P2RX7POLBKMT2A
SCHEMBL1785767 0.87 P2RX7 (0.49) NPSR1MAPTTP53P2RX7POLB
SCHEMBL1790240 0.87 P2RX7 (0.43) KDM4ENPSR1MAPTP2RX7KMT2A
SCHEMBL30795029 0.87 P2RX7 (0.49) NPSR1MAPTTP53P2RX7POLB
SCHEMBL1789364 0.85 KDM4E (0.50) KDM4ENPSR1MAPTTP53P2RX7

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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