SCHEMBL9652198

SCHEMBL9652198

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.79
▸ ATP4B P51164 1/20 0.79

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
SCHEMBL9507864 0.93 ATP4A (0.73) ATP4AATP4B
SCHEMBL9650906 0.92 ATP4A (0.69) ATP4AATP4B
SCHEMBL9507525 0.92 ATP4A (0.72) ATP4AATP4B
SCHEMBL10620602 0.92 ATP4A (0.77) ATP4AATP4B
SCHEMBL9506605 0.91 ATP4A (0.80) ATP4AATP4B
SCHEMBL9506472 0.91 ATP4A (0.71) ATP4AATP4B
SCHEMBL9650890 0.89 ATP4A (0.69) ATP4AATP4B
SCHEMBL9650757 0.89 ATP4A (0.72) ATP4AATP4B
SCHEMBL451221 0.88 ATP4A (1.00) ATP4AATP4B
SCHEMBL29402089 0.88 ATP4A (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259174-B1 DERIVATIVES OF 4-AMINOQUINOLINE AND THEIR USE AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-18 — — EP claimed
US-4806549-A INHIBITOR OF GASTRIC ACID SECRETION SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-21 — — US claimed
EP-0259174-A1 Derivatives of 4-aminoquinoline and their use as medicaments SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-03-09 — — EP claimed
EP-0259174-B1 DERIVATIVES OF 4-AMINOQUINOLINE AND THEIR USE AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-18 — — EP disclosed
US-4806549-A INHIBITOR OF GASTRIC ACID SECRETION SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-21 — — US disclosed
US-4806550-A 4-Amino-3-carbonyl substituted quinolines as inhibitors of gastric acid secretion SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-21 — — US disclosed
WO-1988001621-A1 4-AMINOQUINOLINE DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-03-10 — — WO disclosed
EP-0259174-A1 Derivatives of 4-aminoquinoline and their use as medicaments SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-03-09 — — EP disclosed
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