SCHEMBL30794891

SCHEMBL30794891

CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCCCc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.46
NAPEPLD Q6IQ20 4/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CG P48736 2/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL2129273 1.00 NAMPT (0.46) NAMPTNAPEPLDPOLBALDH1A1CYP2C9
SCHEMBL2128423 0.91 NAPEPLD (0.53) NAPEPLDALDH1A1CYP2C9KDM4ECYP3A4
SCHEMBL30795109 0.91 NAPEPLD (0.53) NAPEPLDALDH1A1CYP2C9KDM4ECYP3A4
SCHEMBL30795352 0.91 NAPEPLD (0.44) NAMPTNAPEPLDALDH1A1CYP2C9KDM4E
SCHEMBL2130149 0.91 NAPEPLD (0.44) NAMPTNAPEPLDALDH1A1CYP2C9KDM4E
SCHEMBL2129221 0.90 NAPEPLD (0.44) NAPEPLDALDH1A1CYP2C9KDM4ECYP3A4
SCHEMBL30796513 0.90 NAPEPLD (0.44) NAPEPLDALDH1A1CYP2C9KDM4ECYP3A4
SCHEMBL30796423 0.89 TP53 (0.46) NAPEPLDALDH1A1KDM4EGAAHPGD
SCHEMBL2129152 0.89 TP53 (0.46) NAPEPLDALDH1A1KDM4EGAAHPGD
SCHEMBL2132358 0.86 ALDH1A1 (0.43) NAPEPLDPOLBALDH1A1CYP2C9KDM4E

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