SCHEMBL7699161

SCHEMBL7699161

NCCCCCCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ENTPD1 P49961 3/20 0.66
▸ TRPM2 O94759 1/20 0.60
▸ RNASEL Q05823 1/20 0.59
▸ P2RY1 P47900 1/20 0.59

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
SCHEMBL6894217 1.00 ENTPD1 (0.66) ENTPD1TRPM2RNASELP2RY1
SCHEMBL3021626 0.93 ENTPD1 (0.67) ENTPD1TRPM2RNASELP2RY1
SCHEMBL6825629 0.91 ENTPD1 (0.63) ENTPD1TRPM2RNASELP2RY1
SCHEMBL6827710 0.90 ENTPD1 (0.70) ENTPD1TRPM2P2RY1
SCHEMBL3021624 0.89 ENTPD1 (0.65) ENTPD1TRPM2RNASELP2RY1
SCHEMBL4209829 0.87 ENTPD1 (0.66) ENTPD1TRPM2
SCHEMBL4206199 0.86 ENTPD1 (0.67) ENTPD1TRPM2
SCHEMBL636536 0.85 ENTPD1 (0.75) ENTPD1TRPM2P2RY1
SCHEMBL636535 0.85 ENTPD1 (0.75) ENTPD1TRPM2P2RY1
SCHEMBL6827694 0.85 ENTPD1 (0.68) ENTPD1TRPM2P2RY1

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-6340747-B1 COMPLEXED TO RARE EARTH METAL CRYPTATE LABEL; DETECTION AND ISOLATION OF NUCLEIC ACIDS CIS BIO INTERNATIONAL (FR) 2002-01-22 — — US disclosed
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