SCHEMBL9349638

SCHEMBL9349638

CCCC(=O)c1cnc2c(OCCCN3CCCC3)cccc2c1Nc1ccccc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.70
▸ ATP4B P51164 1/20 0.70

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
SCHEMBL9353287 0.99 ATP4A (0.69) ATP4AATP4B
SCHEMBL9349290 0.93 ATP4A (0.67) ATP4AATP4B
SCHEMBL563564 0.86 ATP4A (0.80) ATP4AATP4B
SCHEMBL9165498 0.85 ATP4A (0.79) ATP4AATP4B
SCHEMBL9165510 0.85 ATP4A (0.79) ATP4AATP4B
SCHEMBL9269573 0.85 ATP4A (0.82) ATP4AATP4B
Hydrochloric Acid SCHEMBL9264291 0.85 ATP4A (0.79) ATP4AATP4B
SCHEMBL9349250 0.84 ATP4A (0.75) ATP4AATP4B
SCHEMBL9161780 0.84 ATP4A (0.75) ATP4AATP4B
SCHEMBL8189693 0.84 ATP4A (0.75) 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 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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