SCHEMBL30797812

SCHEMBL30797812

CC(C)(C)OC(=O)NCCCCOCCOc1cc(-c2cn[nH]c(=O)c2)cc2c1cnn2C1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 6/20 0.46
▸ ATRIP Q8WXE1 3/20 0.39
▸ SCN9A Q15858 1/20 0.37
▸ DDB1 Q16531 3/20 0.36
▸ CRBN Q96SW2 3/20 0.36
▸ CNR1 P21554 1/20 0.33
▸ PLK1 P53350 2/20 0.33
▸ FPR3 P25089 2/20 0.33
▸ FPR2 P25090 2/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33

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
SCHEMBL27378350 1.00 ATR (0.46) ATRATRIPSCN9ADDB1CRBN
SCHEMBL30797677 0.89 ATR (0.41) ATRATRIPDDB1CRBNPLK1
SCHEMBL27377014 0.89 ATR (0.41) ATRATRIPDDB1CRBNPLK1
SCHEMBL30797980 0.86 ATR (0.49) ATRATRIPSCN9ADDB1CRBN
SCHEMBL30797746 0.86 ATR (0.46) ATRATRIPSCN9ADDB1CRBN
SCHEMBL27378404 0.86 ATR (0.46) ATRATRIPSCN9ADDB1CRBN
SCHEMBL30797903 0.86 ATR (0.50) ATRATRIPSCN9ADDB1CRBN
SCHEMBL30797968 0.84 ATR (0.51) ATRATRIPSCN9ADDB1CRBN
SCHEMBL27376610 0.84 ATR (0.51) ATRATRIPSCN9ADDB1CRBN
SCHEMBL27378341 0.84 SCN9A (0.38) ATRATRIPSCN9ADDB1CRBN

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-4584266-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF Cambridge Enterprise Limited (GB) 2025-07-16 — — EP disclosed
WO-2024052701-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 — — WO disclosed
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