SCHEMBL2840833

SCHEMBL2840833

CC(C)(C(=NC#N)NC1C2CC3CC1CC(C(=O)NCc1occc1I)(C3)C2)N1CCCC(F)(F)C1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.38
HSD11B2 P80365 12/20 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
SCHEMBL2827106 0.87 POLB (0.47) HSD11B1HSD11B2
SCHEMBL2827101 0.87 POLB (0.47) HSD11B1HSD11B2
SCHEMBL2826685 0.85 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL2826687 0.85 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL2830530 0.85 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2828134 0.85 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2830528 0.85 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2828131 0.85 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2824758 0.82 HSD11B1 (0.37) HSD11B1HSD11B2
SCHEMBL2824572 0.82 HSD11B1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO claimed
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed