SCHEMBL4206199

SCHEMBL4206199

NCCCCNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ENTPD1 P49961 3/20 0.67
▸ FBP1 P09467 1/20 0.60
▸ NT5E P21589 1/20 0.58
▸ TRPM2 O94759 1/20 0.58

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
SCHEMBL4209829 0.99 ENTPD1 (0.66) ENTPD1FBP1NT5ETRPM2
SCHEMBL20266254 0.93 FBP1 (0.63) ENTPD1FBP1TRPM2
SCHEMBL8388000 0.92 FBP1 (0.64) ENTPD1FBP1TRPM2
SCHEMBL14178288 0.91 ENTPD1 (0.71) ENTPD1FBP1TRPM2
SCHEMBL20529826 0.88 P2RY1 (0.65) FBP1NT5ETRPM2
Lithium Ion SCHEMBL20266257 0.87 FBP1 (0.60) ENTPD1FBP1NT5E
Lithium Ion SCHEMBL30999928 0.87 FBP1 (0.60) ENTPD1FBP1NT5E
SCHEMBL10686147 0.87 FBP1 (0.68) ENTPD1FBP1TRPM2
Adenosine Phosphate SCHEMBL31666008 0.86 P2RY1 (0.69) FBP1NT5ETRPM2
SCHEMBL636536 0.86 ENTPD1 (0.75) ENTPD1TRPM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140170689-A1 Modified Diguanylate Cyclase-Phosphodiesterase and Method for Enzymatic Production of Cyclic-diGMP THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-06-19 — — US claimed
US-20140170689-A1 Modified Diguanylate Cyclase-Phosphodiesterase and Method for Enzymatic Production of Cyclic-diGMP THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-06-19 — — US disclosed
US-20090104633-A1 Kit for Highly Sensitive Detection Assays VYZKUMNY USTAV VETERINARNIHO LEKARSTVI (CZ) 2009-04-23 — — US disclosed
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