SCHEMBL16631600

SCHEMBL16631600

CCC(C)P(=O)(O)OC(C)(CC)C[C@H]1O[C@@H](n2cc(-c3cn(Cc4ccccc4)nn3)c(=O)[nH]c2=O)[C@@H](O)C1O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 10/20 0.44
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
DNPH1 O43598 1/20 0.37
P2RY6 Q15077 4/20 0.37
P2RY14 Q15391 2/20 0.37
P2RY4 P51582 1/20 0.36

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
SCHEMBL18081594 0.90 P2RY2 (0.45) P2RY2ADORA3ADORA1DNPH1P2RY6
SCHEMBL16631311 0.82 P2RY2 (0.41) P2RY2ADORA3ADORA1DNPH1P2RY6
SCHEMBL18081592 0.80 P2RY2 (0.42) P2RY2DNPH1P2RY6P2RY14P2RY4
SCHEMBL16631541 0.80 P2RY2 (0.55) P2RY2ADORA3ADORA1
SCHEMBL18081589 0.78 P2RY2 (0.46) P2RY2DNPH1P2RY6P2RY14P2RY4
SCHEMBL18081597 0.77 ADORA3 (0.40) P2RY2ADORA3ADORA1P2RY6P2RY14
SCHEMBL18080023 0.77 P2RY2 (0.59) P2RY2P2RY6P2RY14P2RY4
SCHEMBL18081635 0.76 P2RY2 (0.41) P2RY2DNPH1P2RY6P2RY14P2RY4
SCHEMBL18081634 0.76 P2RY2 (0.42) P2RY2DNPH1P2RY6P2RY14P2RY4
SCHEMBL18081590 0.73 P2RY2 (0.42) P2RY2DNPH1P2RY6P2RY14P2RY4

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed