SCHEMBL9350529

SCHEMBL9350529

CCCC(=O)c1cnc2c(NCCCN3CCOCC3)cccc2c1Nc1ccccc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.58
▸ ATP4B P51164 1/20 0.58

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
SCHEMBL9349290 0.88 ATP4A (0.67) ATP4AATP4B
SCHEMBL9353380 0.85 KDM4E (0.54) —
SCHEMBL9349228 0.82 ATP4A (0.58) ATP4AATP4B
SCHEMBL9349638 0.80 ATP4A (0.70) ATP4AATP4B
SCHEMBL9353287 0.79 ATP4A (0.69) ATP4AATP4B
SCHEMBL9349683 0.79 MEN1 (0.55) —
SCHEMBL9650832 0.79 ATP4A (0.80) ATP4AATP4B
SCHEMBL9260552 0.78 ATP4A (0.76) ATP4AATP4B
SCHEMBL20435772 0.76 POLB (0.90) —
SCHEMBL31087707 0.76 POLB (0.90) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416749-B1 Substituted 4-aminoquinolines SMITHKLINE BEECHAM INTERCREDIT (NL) 1994-08-17 — — EP claimed
US-5082841-A Enzyme inhibitor SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) 1992-01-21 — — US claimed
EP-0416749-B1 Substituted 4-aminoquinolines SMITHKLINE BEECHAM INTERCREDIT (NL) 1994-08-17 — — EP disclosed
US-5082841-A Enzyme inhibitor SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) 1992-01-21 — — US disclosed
EP-0416749-A2 Substituted 4-aminoquinolines SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1991-03-13 — — EP disclosed
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