SCHEMBL2829377

SCHEMBL2829377

CC(C)(Oc1ccc(F)cc1Cl)C(=NC#N)NC1C2CC3CC1CC(c1nn[nH]n1)(C3)C2

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.76
HSD11B2 P80365 13/20 0.76

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
SCHEMBL2829375 1.00 HSD11B1 (0.76) HSD11B1HSD11B2
SCHEMBL1045463 0.87 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL2829378 0.86 HSD11B1 (0.66) HSD11B1HSD11B2
SCHEMBL2823254 0.83 HSD11B1 (0.56) HSD11B1HSD11B2
SCHEMBL2824023 0.83 HSD11B1 (0.56) HSD11B1HSD11B2
SCHEMBL2823247 0.83 HSD11B1 (0.56) HSD11B1HSD11B2
SCHEMBL2825156 0.81 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL2825152 0.81 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL2822996 0.81 HSD11B1 (0.66) HSD11B1HSD11B2
SCHEMBL2825879 0.81 HSD11B1 (0.53) 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