SCHEMBL9728664

SCHEMBL9728664

CN1C(=O)CC2(C(=O)N(Cc3ccc(Br)cc3F)C(=O)c3ccccc32)C(=O)N1C

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.69
AKR1B10 O60218 1/20 0.55
AKR1A1 P14550 1/20 0.55
CHRM5 P08912 1/20 0.44

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
SCHEMBL9853853 0.91 AKR1B1 (0.71) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL9728656 0.89 AKR1B1 (0.70) AKR1B1AKR1B10AKR1A1
SCHEMBL9853859 0.89 AKR1B1 (0.71) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL8323558 0.87 AKR1B1 (0.71) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL9729022 0.86 AKR1B1 (0.75) AKR1B1AKR1B10AKR1A1
SCHEMBL8562395 0.84 AKR1B1 (0.64) AKR1B1AKR1B10AKR1A1
SCHEMBL8320547 0.84 AKR1B1 (0.64) AKR1B1AKR1B10AKR1A1
SCHEMBL8323375 0.83 AKR1B1 (0.62) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL8806173 0.82 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1
SCHEMBL9383561 0.82 AKR1B1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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