SCHEMBL27377014

SCHEMBL27377014

CC(C)(C)OC(=O)NCCCCOCCNc1cc(-c2cn[nH]c(=O)c2)cc2c1cnn2C1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 6/20 0.41
▸ DDB1 Q16531 4/20 0.34
▸ CRBN Q96SW2 4/20 0.34
▸ ATRIP Q8WXE1 3/20 0.34
▸ PLK1 P53350 2/20 0.33
▸ FPR3 P25089 2/20 0.33
▸ FPR2 P25090 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ OGFRL1 Q5TC84 1/20 0.31

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
SCHEMBL30797677 1.00 ATR (0.41) ATRDDB1CRBNATRIPPLK1
SCHEMBL30869072 0.90 ATR (0.34) ATRRXRARXRBRXRG
SCHEMBL27378350 0.89 ATR (0.46) ATRDDB1CRBNATRIPPLK1
SCHEMBL30797812 0.89 ATR (0.46) ATRDDB1CRBNATRIPPLK1
SCHEMBL30797547 0.86 ATR (0.42) ATRFPR3FPR2RXRARXRB
SCHEMBL30797873 0.86 ATR (0.41) ATRDDB1CRBNFPR3FPR2
SCHEMBL27377168 0.86 ATR (0.41) ATRDDB1CRBNFPR3FPR2
SCHEMBL30797974 0.86 ATR (0.44) ATRATRIPPLK1FPR3FPR2
SCHEMBL30797688 0.86 ATR (0.44) ATRDDB1CRBNATRIPFPR3
SCHEMBL30797730 0.84 ATR (0.44) ATRDDB1CRBNATRIPFPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024052701-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 — — WO disclosed
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