SCHEMBL30794445

SCHEMBL30794445

c1ccc(NCC2CCOCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.51
GPR39 O43194 3/20 0.50
KCNH3 Q9ULD8 1/20 0.50
GRIN2B Q13224 1/20 0.49
CXCR4 P61073 1/20 0.46
FABP1 P07148 1/20 0.45
FABP6 P51161 1/20 0.45
CSF1R P07333 1/20 0.44
CCNT1 O60563 4/20 0.43
CDK9 P50750 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA2B P08514 1/20 0.43
ITGA5 P08648 1/20 0.43
ITGB5 P18084 1/20 0.43
CYP1A2 P05177 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 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
SCHEMBL17700171 1.00 HIF1A (0.51) HIF1AGPR39KCNH3GRIN2BCXCR4
SCHEMBL797462 0.88 GPR39 (0.60) HIF1AGPR39GRIN2BCXCR4FABP1
SCHEMBL17700541 0.85 GPR39 (0.54) HIF1AGPR39GRIN2BCXCR4FABP1
SCHEMBL31610448 0.83 CXCR4 (0.49) GPR39GRIN2BCXCR4FABP1FABP6
SCHEMBL17700175 0.83 GPR39 (0.56) HIF1AGPR39GRIN2BCXCR4FABP1
SCHEMBL4720018 0.81 HRH4 (0.51) GPR39GRIN2BCXCR4FABP1FABP6
SCHEMBL29622804 0.79 CYP3A4 (0.48) HIF1AGPR39KCNH3GRIN2BCSF1R
SCHEMBL13118523 0.79 GRIN2B (0.57) GPR39GRIN2BCXCR4CCNT1CDK9
SCHEMBL1225401 0.77 CDK9 (0.48) KCNH3GRIN2BCCNT1CDK9HTR1A
SCHEMBL4522025 0.77 CXCR4 (0.49) GPR39GRIN2BCXCR4FABP1FABP6

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 4 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-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed