SCHEMBL2823388

SCHEMBL2823388

CC(C)(Oc1ccc(Cl)cc1F)C(=NC#N)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.49
HSD11B2 P80365 4/20 0.49
STS P08842 2/20 0.37
EPHX2 P34913 2/20 0.34
PKM P14618 1/20 0.34
CNR2 P34972 1/20 0.34
SCN9A Q15858 1/20 0.34
CNR1 P21554 1/20 0.33
USP30 Q70CQ3 1/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2823380 1.00 HSD11B1 (0.49) HSD11B1HSD11B2STSEPHX2PKM
SCHEMBL2826231 0.90 HSD11B1 (0.40) HSD11B1HSD11B2STSEPHX2PKM
SCHEMBL2826225 0.90 HSD11B1 (0.40) HSD11B1HSD11B2STSEPHX2PKM
SCHEMBL2824155 0.89 HSD11B1 (0.47) HSD11B1HSD11B2EPHX2USP30
SCHEMBL2824153 0.89 HSD11B1 (0.47) HSD11B1HSD11B2EPHX2USP30
SCHEMBL2823628 0.83 HSD11B1 (0.45) HSD11B1HSD11B2EPHX2
SCHEMBL2823635 0.83 HSD11B1 (0.45) HSD11B1HSD11B2EPHX2
SCHEMBL2823676 0.83 HSD11B1 (0.52) HSD11B1HSD11B2EPHX2USP30
SCHEMBL2823671 0.83 HSD11B1 (0.52) HSD11B1HSD11B2EPHX2USP30
SCHEMBL2827939 0.82 HSD11B1 (0.56) 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