SCHEMBL10695744

SCHEMBL10695744

COc1ccc(C(OC[C@]2(n3cnc(C(N)=O)c3N)CC[C@H]3OC(C)(C)O[C@H]32)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A11 P48066 7/20 0.36
▸ SLC6A1 P30531 3/20 0.36
▸ TYMP P19971 4/20 0.34
▸ NPY2R P49146 1/20 0.33
▸ SLC6A12 P48065 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC6A13 Q9NSD5 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ BACE1 P56817 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
SCHEMBL10706957 0.80 TYMP (0.35) SLC6A11SLC6A1TYMPSLC6A12
SCHEMBL10700145 0.77 SLC6A1 (0.30) SLC6A11SLC6A1TYMP
SCHEMBL10395485 0.66 TYMP (0.43) SLC6A11SLC6A1TYMPSLC6A12MEN1
SCHEMBL10394454 0.62 TYMP (0.44) SLC6A11SLC6A1TYMPMEN1KMT2A
SCHEMBL6098769 0.61 SLC6A1 (0.34) SLC6A11SLC6A1TYMPNPY2RCYP3A4
SCHEMBL6100218 0.61 SLC6A1 (0.34) SLC6A11SLC6A1TYMPNPY2RCYP3A4
SCHEMBL6409597 0.60 SLC6A11 (0.47) SLC6A11SLC6A1NPY2RSLC6A12MEN1
SCHEMBL6100226 0.60 SLC6A11 (0.36) SLC6A11SLC6A1TYMPNPY2RSLC6A12
SCHEMBL22091472 0.60 SLC6A1 (0.33) SLC6A11SLC6A1TYMPCYP3A4
SCHEMBL28645214 0.60 SLC6A1 (0.33) SLC6A11SLC6A1TYMPCYP3A4

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
EP-0278501-A2 Nucleotide analogs, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-08-17 — — EP disclosed
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