SCHEMBL2825030

SCHEMBL2825030

CC[C@H](C(=NC#N)NC1C2CC3CC1CC(O)(C3)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.65
HSD11B2 P80365 4/20 0.63

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
SCHEMBL2825028 1.00 HSD11B1 (0.65) HSD11B1HSD11B2
SCHEMBL2827452 0.90 HSD11B1 (0.75) HSD11B1HSD11B2
SCHEMBL2827450 0.90 HSD11B1 (0.75) HSD11B1HSD11B2
SCHEMBL2823994 0.90 HSD11B1 (0.80) HSD11B1HSD11B2
SCHEMBL2823998 0.90 HSD11B1 (0.80) HSD11B1HSD11B2
SCHEMBL2826816 0.89 HSD11B1 (0.80) HSD11B1HSD11B2
SCHEMBL2826819 0.89 HSD11B1 (0.80) HSD11B1HSD11B2
SCHEMBL2825897 0.88 HSD11B1 (0.62) HSD11B1HSD11B2
SCHEMBL2825899 0.88 HSD11B1 (0.62) HSD11B1HSD11B2
SCHEMBL2824134 0.88 HSD11B1 (0.68) 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
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed