SCHEMBL2829378

SCHEMBL2829378

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

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.66
HSD11B2 P80365 9/20 0.66

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 0.86 HSD11B1 (0.76) HSD11B1HSD11B2
SCHEMBL2829377 0.86 HSD11B1 (0.76) HSD11B1HSD11B2
SCHEMBL2823251 0.83 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL2825158 0.81 HSD11B1 (0.44) HSD11B1HSD11B2
SCHEMBL2825884 0.81 HSD11B1 (0.45) HSD11B1HSD11B2
SCHEMBL2822996 0.80 HSD11B1 (0.66) HSD11B1HSD11B2
SCHEMBL1045463 0.80 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL2822513 0.80 HSD11B1 (0.64) HSD11B1HSD11B2
SCHEMBL2823846 0.79 HSD11B1 (0.65) HSD11B1HSD11B2
SCHEMBL2823973 0.75 HSD11B1 (0.39) 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