SCHEMBL9728707

SCHEMBL9728707

CNN(C)C(=O)CC1(C(=O)OC)C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.49
AKR1B10 O60218 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM5 P08912 1/20 0.39

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
SCHEMBL9728938 0.91 AKR1B1 (0.50) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL9729042 0.91 AKR1B1 (0.50) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL8319660 0.88 AKR1B1 (0.54) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL8805167 0.87 AKR1B1 (0.53) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL8319413 0.85 AKR1B1 (0.51) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL8805641 0.83 AKR1B1 (0.52) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL9871300 0.81 AKR1B1 (0.52) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL9728713 0.80 AKR1B1 (0.46) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL8322894 0.78 AKR1B1 (0.54) AKR1B1AKR1B10AKR1A1
SCHEMBL8805046 0.78 AKR1B1 (0.54) AKR1B1AKR1B10AKR1A1CHRM5

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-5081241-A Diabetes AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-14 US disclosed