SCHEMBL9269453

SCHEMBL9269453

CCCC(=O)c1cnc2c(OCCOCCOCCO)cccc2c1Nc1ccccc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.75
▸ ATP4B P51164 1/20 0.75

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
SCHEMBL9269697 1.00 ATP4A (0.75) ATP4AATP4B
SCHEMBL10535714 0.99 ATP4A (0.73) ATP4AATP4B
SCHEMBL563564 0.94 ATP4A (0.80) ATP4AATP4B
SCHEMBL9165498 0.94 ATP4A (0.79) ATP4AATP4B
SCHEMBL9165510 0.94 ATP4A (0.79) ATP4AATP4B
Hydrochloric Acid SCHEMBL9264291 0.94 ATP4A (0.79) ATP4AATP4B
SCHEMBL9267721 0.91 ATP4A (0.75) ATP4AATP4B
SCHEMBL9269573 0.90 ATP4A (0.82) ATP4AATP4B
SCHEMBL9266013 0.90 — —
SCHEMBL9157119 0.88 ATP4A (0.76) ATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330485-B1 4-AMINO-3-ACYL QUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC ACID SECRETION SmithKline Beecham Intercredit B.V. (NL) 1993-05-26 — — EP claimed
WO-1989008104-A1 4-AMINO-3-ACYLQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-08 — — WO claimed
US-5432182-A Inhibitors of gastric acid secretion SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-07-11 — — US disclosed
EP-0330485-B1 4-AMINO-3-ACYL QUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC ACID SECRETION SmithKline Beecham Intercredit B.V. (NL) 1993-05-26 — — EP disclosed
US-5089504-A SUBSTITUTED 4-AMINOQUINOLINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1992-02-18 — — US disclosed
WO-1989008104-A1 4-AMINO-3-ACYLQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-08 — — WO disclosed
EP-0330485-A1 4-Amino-3-acyl quinoline derivatives and their use as inhibitors of gastric acid secretion SmithKline Beecham Intercredit B.V. (NL) 1989-08-30 — — EP disclosed
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