SCHEMBL9384286

SCHEMBL9384286

O=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cccc(F)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.78
AKR1B10 O60218 1/20 0.71
AKR1A1 P14550 1/20 0.71

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
SCHEMBL8806173 0.88 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1
SCHEMBL9383561 0.88 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1
SCHEMBL9383384 0.88 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1
SCHEMBL9383724 0.85 AKR1B1 (0.77) AKR1B1AKR1B10AKR1A1
SCHEMBL10804572 0.84 AKR1B1 (0.76) AKR1B1AKR1B10AKR1A1
Minalrestat SCHEMBL30602643 0.83 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1
Minalrestat SCHEMBL9384195 0.83 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1
Minalrestat SCHEMBL9388567 0.83 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1
Minalrestat SCHEMBL29727574 0.83 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1
SCHEMBL9383175 0.83 AKR1B1 (0.85) AKR1B1AKR1B10AKR1A1

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-0365324-B1 Spiro-isoquinoline-pyrrolidine tetrones and analogs thereof useful as aldose reductase inhibitors AMERICAN HOME PROD (US) 1994-05-04 EP claimed
US-4927831-A PREVENTION OF DIABETES MELLITUS ASSOCIATED COMPLICATIONS AMERICAN HOME PRODUCTS (US) 1990-05-22 US claimed
EP-0365324-B1 Spiro-isoquinoline-pyrrolidine tetrones and analogs thereof useful as aldose reductase inhibitors AMERICAN HOME PROD (US) 1994-05-04 EP disclosed
US-4927831-A PREVENTION OF DIABETES MELLITUS ASSOCIATED COMPLICATIONS AMERICAN HOME PRODUCTS (US) 1990-05-22 US disclosed
EP-0365324-A1 Spiro-isoquinoline-pyrrolidine tetrones and analogs thereof useful as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1990-04-25 EP disclosed