SCHEMBL9506605

SCHEMBL9506605

CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(O)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.80
▸ ATP4B P51164 1/20 0.80

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
SCHEMBL27326833 0.92 ATP4A (0.80) ATP4AATP4B
SCHEMBL9652198 0.91 ATP4A (0.79) ATP4AATP4B
SCHEMBL9510099 0.90 ATP4A (0.73) ATP4AATP4B
SCHEMBL7846181 0.90 — —
SCHEMBL9725711 0.89 ATP4A (0.63) ATP4AATP4B
SCHEMBL29402089 0.89 ATP4A (1.00) ATP4AATP4B
SCHEMBL451221 0.89 ATP4A (1.00) ATP4AATP4B
SCHEMBL9510355 0.88 ATP4A (0.62) ATP4AATP4B
Hydrochloric Acid SCHEMBL9652165 0.88 ATP4A (0.98) ATP4AATP4B
SCHEMBL9507864 0.88 ATP4A (0.73) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342775-B1 4-AMINO-3-ACYLQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-09-15 — — EP claimed
US-5143920-A Antiulcer, antisecretory SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1992-09-01 — — US claimed
EP-0342775-A1 4-Amino-3-acylquinoline derivatives and their use as inhibitors of gastric secretion SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1989-11-23 — — EP claimed
WO-1989008105-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
EP-0342775-B1 4-AMINO-3-ACYLQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-09-15 — — EP disclosed
US-5143920-A Antiulcer, antisecretory SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1992-09-01 — — US disclosed
EP-0342775-A1 4-Amino-3-acylquinoline derivatives and their use as inhibitors of gastric secretion SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1989-11-23 — — EP disclosed
CN-1035663-A The preparation method of the quinoline that replaces SMITHKLINE BECKMAN INTERCREDIT (NL) 1989-09-20 — — CN disclosed
WO-1989008105-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
Send feedback