SCHEMBL2830496

SCHEMBL2830496

CC(C)(Oc1ccc(F)cc1Br)C(=NC1C2CC3CC1CC(S(N)(=O)=O)(C3)C2)NC#N

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.52
HSD11B2 P80365 13/20 0.45
STS P08842 1/20 0.31

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
SCHEMBL2826821 0.93 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL2823565 0.92 HSD11B1 (0.53) HSD11B1HSD11B2
SCHEMBL2824487 0.91 HSD11B1 (0.53) HSD11B1HSD11B2
SCHEMBL2823846 0.90 HSD11B1 (0.65) HSD11B1HSD11B2
SCHEMBL2827114 0.87 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL2825188 0.87 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2823107 0.85 HSD11B1 (0.55) HSD11B1HSD11B2
SCHEMBL2827183 0.85 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL2830493 0.85 HSD11B1 (0.61) HSD11B1HSD11B2
SCHEMBL2830495 0.85 HSD11B1 (0.61) HSD11B1HSD11B2

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
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed