SCHEMBL30794800

SCHEMBL30794800

Nc1cc2c(cc1NC(=O)Cc1ccc(F)cc1)CCN2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.46
EPHX2 P34913 9/20 0.46
KCNT1 Q5JUK3 1/20 0.46
KCNQ2 O43526 2/20 0.44
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 2/20 0.41
LMNA P02545 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL3089922 1.00 ALOX5 (0.46) ALOX5EPHX2KCNT1KCNQ2HDAC1
SCHEMBL3111409 0.86 ALOX5 (0.44) ALOX5EPHX2KCNT1KCNQ2LMNA
SCHEMBL3104094 0.86 KCNQ2 (0.48) ALOX5EPHX2KCNT1KCNQ2HDAC1
SCHEMBL30794565 0.86 KCNQ2 (0.48) ALOX5EPHX2KCNT1KCNQ2HDAC1
SCHEMBL27749690 0.85 GAA (0.48) ALOX5EPHX2KCNT1HDAC6
SCHEMBL30795774 0.83 ALOX5 (0.43) ALOX5EPHX2KCNT1HDAC1HDAC6
SCHEMBL3106729 0.83 ALOX5 (0.43) ALOX5EPHX2KCNT1HDAC1HDAC6
SCHEMBL3104063 0.83 ALOX5 (0.55) ALOX5EPHX2KCNT1KCNQ2HDAC1
SCHEMBL30795194 0.83 ALOX5 (0.55) ALOX5EPHX2KCNT1KCNQ2HDAC1
SCHEMBL3106549 0.83 ALOX5 (0.62) ALOX5EPHX2KCNT1HDAC1HDAC6

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