SCHEMBL9872084

SCHEMBL9872084

COC(=O)CC1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2ccc(F)cc21

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.79
AKR1B10 O60218 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM5 P08912 1/20 0.39
GRM5 P41594 1/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL9870040 0.89 AKR1B1 (0.73) AKR1B1AKR1B10AKR1A1CHRM5GRM5
SCHEMBL9685013 0.88 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1CHRM5GRM5
SCHEMBL8320456 0.84 AKR1B1 (0.66) AKR1B1AKR1B10AKR1A1CHRM5GRM5
SCHEMBL9383937 0.77 AKR1B1 (0.54) AKR1B1CHRM5MAPT
SCHEMBL9684857 0.77 AKR1B1 (0.79) AKR1B1CHRM5
SCHEMBL8323716 0.75 AKR1B1 (0.54) AKR1B1CHRM5GRM5MAPT
SCHEMBL9385583 0.75 AKR1B1 (0.54) AKR1B1AKR1B10AKR1A1CHRM5MAPT
SCHEMBL10431907 0.72 AKR1B1 (0.54) AKR1B1AKR1B10AKR1A1MAPT
SCHEMBL9385856 0.71 AKR1B1 (0.49) AKR1B1AKR1A1CHRM5MAPT
SCHEMBL8322894 0.71 AKR1B1 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4983613-A Acetamides; treatment of neuropathy, nephropathy, retinopathy or cataracts in diabetic mammals AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-08 US disclosed