SCHEMBL2828229

SCHEMBL2828229

CC(C)(C(=N)N(C#N)C1CCCCC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.58
KDM4E B2RXH2 3/20 0.46
ABL1 P00519 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD11B2 P80365 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
DPP4 P27487 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2823863 0.81 HSD11B1 (0.48) HSD11B1KDM4EMAPTALDH1A1HSD11B2
SCHEMBL2831590 0.81 HSD11B1 (0.47) HSD11B1KDM4EMAPTALDH1A1HSD11B2
SCHEMBL2824343 0.80 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL2827493 0.79 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL2833023 0.77 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2825241 0.77 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2824723 0.77 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2833830 0.76 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL2827026 0.76 HSD11B1 (0.70) HSD11B1KDM4EABL1LMNAPOLB
SCHEMBL2827031 0.76 HSD11B1 (0.57) HSD11B1KDM4EABL1LMNAPOLB

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 claimed