SCHEMBL23005684

SCHEMBL23005684

CCOC(=O)C1(c2ccc3nc(CC4CC[SiH](C)CC4)[nH]c3c2)CCOC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.36
▸ OPRM1 P35372 3/20 0.36
▸ IDO1 P14902 2/20 0.34
▸ GRIN2B Q13224 2/20 0.33
▸ SIRT2 Q8IXJ6 2/20 0.33
▸ SIRT1 Q96EB6 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ SIRT3 Q9NTG7 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
SCHEMBL23005638 0.91 AAK1 (0.42) AAK1OPRM1IDO1GRIN2BSIRT2
SCHEMBL23005558 0.87 AAK1 (0.43) AAK1OPRM1IDO1SIRT2SIRT1
SCHEMBL23005674 0.85 SIRT2 (0.35) OPRM1SIRT2SIRT1F2F10
SCHEMBL23005709 0.84 AAK1 (0.45) AAK1IDO1GRIN2BHSD17B10F2
SCHEMBL23005732 0.82 OPRM1 (0.35) OPRM1IDO1GRIN2BHSD17B10F2
SCHEMBL23005797 0.78 OPRM1 (0.35) OPRM1HSD17B10F2F10PLG
SCHEMBL23005561 0.74 ALDH1A1 (0.40) AAK1IDO1GRIN2BSIRT2SIRT1
SCHEMBL23005795 0.73 OPRM1 (0.35) OPRM1SIRT2SIRT1HSD17B10F2
SCHEMBL23005733 0.69 OPRM1 (0.40) OPRM1POLBALOX5
SCHEMBL22992487 0.69 OPRM1 (0.43) OPRM1ALOX5

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-2021027724-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2021-02-18 — — WO disclosed
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