SCHEMBL16247696

SCHEMBL16247696

CCC(C)(C[C@H]1O[C@@H](n2cc3cc(C)[nH]c3nc2=O)[C@H](O)[C@@H]1O)OP(=O)(O)[C@](C)(O)CC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 7/20 0.36
P2RY6 Q15077 7/20 0.36
P2RY4 P51582 6/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
DNPH1 O43598 1/20 0.34
P2RY14 Q15391 1/20 0.34
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34

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
SCHEMBL18293150 1.00 P2RY2 (0.36) P2RY2P2RY6P2RY4TAS1R3TAS1R1
SCHEMBL18081881 1.00 P2RY2 (0.36) P2RY2P2RY6P2RY4TAS1R3TAS1R1
SCHEMBL17792581 1.00 P2RY2 (0.36) P2RY2P2RY6P2RY4TAS1R3TAS1R1
SCHEMBL15494174 1.00 P2RY2 (0.36) P2RY2P2RY6P2RY4TAS1R3TAS1R1
SCHEMBL15250722 1.00 P2RY2 (0.36) P2RY2P2RY6P2RY4TAS1R3TAS1R1
SCHEMBL15258090 0.94 P2RY2 (0.36) P2RY2P2RY6P2RY4TAS1R3TAS1R1
SCHEMBL15725392 0.93 P2RY2 (0.36) P2RY2P2RY6P2RY4TAS1R3TAS1R1
SCHEMBL16660333 0.93 P2RY2 (0.36) P2RY2P2RY6P2RY4TAS1R3TAS1R1
SCHEMBL15280219 0.92 P2RY2 (0.39) P2RY2P2RY6P2RY4TAS1R3TAS1R1
SCHEMBL17546719 0.92 P2RY2 (0.39) P2RY2P2RY6P2RY4TAS1R3TAS1R1

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-20140343129-A1 MODIFIED NUCLEIC ACIDS, AND ACUTE CARE USES THEREOF MODERNATX, INC. 2014-11-20 US disclosed