SCHEMBL2827242

SCHEMBL2827242

CC(C)(C(=NC#N)NC1CCCCNCC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.[CH2].[CH2]

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.62
HSD11B2 P80365 2/20 0.44
DPP4 P27487 2/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL2827026 0.92 HSD11B1 (0.70) HSD11B1HSD11B2DPP4GAAKDM4E
SCHEMBL2827028 0.92 HSD11B1 (0.70) HSD11B1HSD11B2DPP4GAAKDM4E
SCHEMBL2828305 0.77 HSD11B1 (0.57) HSD11B1HSD11B2MAPTALDH1A1
SCHEMBL2828307 0.77 HSD11B1 (0.57) HSD11B1HSD11B2MAPTALDH1A1
SCHEMBL2827241 0.76 HSD11B1 (0.57) HSD11B1HSD11B2MAPTALDH1A1
SCHEMBL2824524 0.75 HSD11B1 (0.56) HSD11B1HSD11B2MAPTALDH1A1
SCHEMBL2830783 0.74 HSD11B1 (0.77) HSD11B1HSD11B2
SCHEMBL2830784 0.74 HSD11B1 (0.77) HSD11B1HSD11B2
SCHEMBL2827031 0.74 HSD11B1 (0.57) HSD11B1HSD11B2DPP4GAAKDM4E
SCHEMBL2826450 0.73 HSD11B1 (0.62) 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