SCHEMBL733396

SCHEMBL733396

CONc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](C(OC(=O)C(=O)OC2CCCCC2)C(c2ccccc2)(c2ccccc2)c2ccccc2)O1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL735248 0.84 ADORA3 (0.43) ADORA3PRMT5WDR77ADORA2AADORA2B
SCHEMBL734847 0.82 P2RY12 (0.31) PRMT5WDR77
SCHEMBL735341 0.79 ADORA3 (0.38) ADORA3PRMT5WDR77
SCHEMBL736838 0.74 PRMT5 (0.38) ADORA3PRMT5WDR77ADORA2AADORA2B
SCHEMBL735543 0.72 TYMP (0.64) ADORA3PRMT5WDR77
SCHEMBL888001 0.71 ADORA3 (0.45) ADORA3ADORA2AADORA2B
SCHEMBL5859661 0.71 P2RX3 (0.43)
SCHEMBL888000 0.71 ADORA3 (0.43) ADORA3ADORA2A
SCHEMBL2112347 0.69 ADORA3 (0.47) ADORA3ADORA2AADORA2B
SCHEMBL2112346 0.69 ADORA3 (0.43) ADORA3ADORA2AADORA2B

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
US-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed