SCHEMBL30794871

SCHEMBL30794871

CCNC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(Cl)s1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.53
EPHX2 P34913 13/20 0.53
KCNT1 Q5JUK3 1/20 0.53
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ABCB1 P08183 1/20 0.41
DOT1L Q8TEK3 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
SCHEMBL3106532 1.00 ALOX5 (0.53) ALOX5EPHX2KCNT1DRD2DRD1
SCHEMBL27630291 0.90 EPHX2 (0.50) ALOX5EPHX2KCNT1HDAC6ABCB1
SCHEMBL3106521 0.87 ALOX5 (0.52) ALOX5EPHX2KCNT1HDAC6
SCHEMBL3095366 0.86 EPHX2 (0.56) ALOX5EPHX2KCNT1
SCHEMBL27650413 0.86 ALOX5 (0.48) ALOX5EPHX2KCNT1HDAC6
SCHEMBL3099601 0.86 CYP2D6 (0.47) ALOX5EPHX2KCNT1
SCHEMBL30795509 0.86 CYP2D6 (0.47) ALOX5EPHX2KCNT1
SCHEMBL30795585 0.85 EPHX2 (0.46) ALOX5EPHX2KCNT1HDAC6
SCHEMBL3111438 0.85 EPHX2 (0.46) ALOX5EPHX2KCNT1HDAC6
SCHEMBL3099881 0.85 ALOX5 (0.49) ALOX5EPHX2KCNT1

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