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Sugi Predict / Compounds / SCHEMBL8910114

SCHEMBL8910114

SCHEMBL8910114

NC(=O)c1ccc2nc(C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)C3CC3)[nH]c2c1CCc1cscn1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 1/20 0.59
▸ REN P00797 19/20 0.38

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
SCHEMBL8910213 0.88 P2RX1 (0.46) P2RX1REN
SCHEMBL8910505 0.82 P2RX1 (0.45) P2RX1REN
SCHEMBL16507547 0.74 P2RX1 (1.00) P2RX1REN
SCHEMBL8909057 0.71 P2RX1 (0.62) P2RX1REN
SCHEMBL9800550 0.71 P2RX1 (0.62) P2RX1REN
SCHEMBL8909210 0.70 P2RX1 (0.54) P2RX1REN
SCHEMBL9800618 0.68 P2RX1 (0.68) P2RX1REN
SCHEMBL9800614 0.68 P2RX1 (0.68) P2RX1REN
SCHEMBL8911077 0.68 P2RX1 (0.42) P2RX1REN
SCHEMBL8910668 0.67 P2RX1 (0.44) P2RX1REN

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-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 — — US disclosed