SCHEMBL9728938

SCHEMBL9728938

CNN(C)C(=O)CC1(C(=O)OC)C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.50
AKR1B10 O60218 1/20 0.50
AKR1A1 P14550 1/20 0.50
CHRM5 P08912 1/20 0.35
GRM5 P41594 1/20 0.34

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
SCHEMBL9728707 0.91 AKR1B1 (0.49) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL8322894 0.88 AKR1B1 (0.54) AKR1B1AKR1B10AKR1A1
SCHEMBL8805046 0.87 AKR1B1 (0.54) AKR1B1AKR1B10AKR1A1CHRM5GRM5
SCHEMBL8327047 0.85 AKR1B1 (0.51) AKR1B1AKR1B10AKR1A1CHRM5GRM5
SCHEMBL8804124 0.83 AKR1B1 (0.53) AKR1B1AKR1B10AKR1A1CHRM5GRM5
SCHEMBL9729042 0.82 AKR1B1 (0.50) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL9728944 0.80 AKR1B1 (0.47) AKR1B1AKR1B10AKR1A1
SCHEMBL9385128 0.80 AKR1B1 (0.45) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL9383416 0.79 AKR1B1 (0.44) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL8319660 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