SCHEMBL30795145

SCHEMBL30795145

CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
RAF1 P04049 5/20 0.40
BRAF P15056 5/20 0.40
PPARG P37231 2/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
LMNA P02545 2/20 0.38
S1PR3 Q99500 1/20 0.38
AKT1 P31749 1/20 0.38
TACR1 P25103 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL2131026 1.00 P2RX7 (0.41) P2RX7RAF1BRAFPPARGHCRTR1
SCHEMBL2133604 0.93 AKT1 (0.43) P2RX7RAF1BRAFPPARGLMNA
SCHEMBL30794469 0.93 AKT1 (0.43) P2RX7RAF1BRAFPPARGLMNA
SCHEMBL2129948 0.91 PPARG (0.47) PPARGLMNAS1PR3AKT1NAPEPLD
SCHEMBL2130655 0.89 MMP13 (0.44) PPARGLMNAS1PR3AKT1NAPEPLD
SCHEMBL30795660 0.89 MMP13 (0.44) PPARGLMNAS1PR3AKT1NAPEPLD
SCHEMBL30794720 0.88 BRAF (0.47) RAF1BRAFLMNATACR1NAPEPLD
SCHEMBL2131408 0.88 BRAF (0.47) RAF1BRAFLMNATACR1NAPEPLD
SCHEMBL2129152 0.87 TP53 (0.46) LMNAAKT1NAPEPLDKLKB1KLK1
SCHEMBL30796423 0.87 TP53 (0.46) LMNAAKT1NAPEPLDKLKB1KLK1

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