SCHEMBL17255162

SCHEMBL17255162

COc1ccc(C(OC[C@@]23CS[C@@H]([C@H](n4ccc(=O)[nH]c4=O)O2)[C@@H]3OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.30
P2RY2 P41231 1/20 0.30
P2RY4 P51582 1/20 0.30

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
SCHEMBL1277763 0.91 TK2 (0.32)
SCHEMBL4087414 0.89
SCHEMBL1408601 0.89
SCHEMBL9104276 0.87
SCHEMBL4772315 0.87
SCHEMBL7093044 0.87 DUT (0.30)
SCHEMBL12386211 0.87 DUT (0.30)
SCHEMBL1526489 0.84 DUT (0.30)
SCHEMBL1666162 0.84 P2RY14 (0.30) P2RY14P2RY2P2RY4
SCHEMBL1665261 0.84 P2RY14 (0.30) P2RY14P2RY2P2RY4

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-1015469-B2 BI- AND TRI-CYCLIC NUCLEOSIDE, NUCLEOTIDE AND OLIGONUCLEOIDE ANALOGUES EXIQON AS (DK) 2015-11-18 EP claimed