SCHEMBL30795481

SCHEMBL30795481

CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCCCC(C)(C)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
NPC1 O15118 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLA P06280 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NAPEPLD Q6IQ20 4/20 0.38
GBA1 P04062 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
RAF1 P04049 4/20 0.36
BRAF P15056 4/20 0.36

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
SCHEMBL2131445 1.00 RAB9A (0.41) RAB9AKDM4EALDH1A1GAAHPGD
SCHEMBL2129040 0.94 RAB9A (0.42) RAB9AKDM4EALDH1A1GAAHPGD
SCHEMBL2134391 0.92 RAB9A (0.43) RAB9AKDM4EALDH1A1GAAHPGD
SCHEMBL2129392 0.90 KDM4E (0.42) RAB9AKDM4EALDH1A1GAAHPGD
SCHEMBL2130364 0.90 RAB9A (0.42) RAB9AKDM4EALDH1A1GAAHPGD
SCHEMBL2133126 0.90 KDM4E (0.42) RAB9AKDM4EALDH1A1GAAHPGD
SCHEMBL30794972 0.90 KDM4E (0.42) RAB9AKDM4EALDH1A1GAAHPGD
SCHEMBL2127971 0.89 ALDH1A1 (0.42) RAB9AKDM4EALDH1A1GAAHPGD
SCHEMBL30824705 0.89 ALDH1A1 (0.42) RAB9AKDM4EALDH1A1GAAHPGD
SCHEMBL2128118 0.89 RAB9A (0.40) RAB9AKDM4EALDH1A1GAAHPGD

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