SCHEMBL30939176

SCHEMBL30939176

NCc1ccnc(OCC2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 0.52
LOX P28300 4/20 0.52
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
LOXL3 P58215 1/20 0.39
DHFR P00374 1/20 0.39
DCPS Q96C86 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
EP300 Q09472 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
GRM4 Q14833 1/20 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
SCHEMBL4935143 1.00 LOXL2 (0.52) LOXL2LOXIKBKETBK1LOXL3
SCHEMBL4936674 0.92 LOXL2 (0.50) LOXL2LOXIKBKETBK1IRAK4
SCHEMBL4932984 0.81 LOXL2 (0.74) LOXL2LOXIKBKETBK1LOXL3
SCHEMBL429671 0.81 LOXL2 (0.51) LOXL2LOXLOXL3
SCHEMBL30578250 0.81 LOXL2 (0.51) LOXL2LOXLOXL3
SCHEMBL8277614 0.79 GRM4 (0.42) DHFRDCPSIRAK4TLR7GRM4
SCHEMBL15716837 0.79 CCNA2 (0.43) DHFRDCPSIRAK4EP300GRM4
SCHEMBL30931670 0.77 LOXL2 (0.50) LOXL2LOXLOXL3
SCHEMBL4937792 0.77 XDH (0.41) DHFRDCPSIRAK4
SCHEMBL4935204 0.76 LOXL2 (0.66) LOXL2LOXIKBKETBK1LOXL3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630404-A1 UREA COMPOUNDS AS ACTIVATORS OF POTASSIUM CHANNELS KV7.2/7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2025-10-15 EP disclosed
WO-2024121048-A1 UREA COMPOUNDS AS ACTIVATORS OF POTASSIUM CHANNELS KV7.2/7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2024-06-13 WO disclosed