Sugi Predict

Sugi Predict / Compounds / SCHEMBL8861497

SCHEMBL8861497

SCHEMBL8861497

CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 19/20 0.75
▸ P2RY14 Q15391 7/20 0.75
▸ P2RY2 P41231 2/20 0.66
▸ NT5E P21589 1/20 0.64

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
SCHEMBL148676 0.94 P2RY6 (0.73) P2RY6P2RY14P2RY2NT5E
SCHEMBL148675 0.94 P2RY6 (0.73) P2RY6P2RY14P2RY2NT5E
SCHEMBL9702618 0.92 P2RY6 (0.74) P2RY6P2RY14P2RY2NT5E
SCHEMBL9702628 0.92 P2RY6 (0.74) P2RY6P2RY14P2RY2NT5E
SCHEMBL9681927 0.88 P2RY6 (0.81) P2RY6P2RY14NT5E
SCHEMBL6820202 0.86 P2RY6 (0.63) P2RY6P2RY14P2RY2NT5E
SCHEMBL6820199 0.86 P2RY6 (0.63) P2RY6P2RY14P2RY2NT5E
SCHEMBL16081117 0.86 P2RY2 (0.72) P2RY6P2RY14P2RY2NT5E
SCHEMBL15065276 0.85 P2RY6 (0.72) P2RY6P2RY2
SCHEMBL15065277 0.85 P2RY6 (0.72) P2RY6P2RY2

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-5620676-A ADENOSINE TRIPHOSPHATE DERIVATIVES; TREATMENT OF SEPTIC SHOCK OR BRAIN SEIZURES, LEARNING ENHANCEMENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-04-15 — — US disclosed