SCHEMBL2826231

SCHEMBL2826231

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.40
STS P08842 1/20 0.38
HSD11B2 P80365 5/20 0.38
EPHX2 P34913 4/20 0.36
CNR2 P34972 2/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.34
FAAH O00519 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL2826225 1.00 HSD11B1 (0.40) HSD11B1STSHSD11B2EPHX2CNR2
SCHEMBL2823380 0.90 HSD11B1 (0.49) HSD11B1STSHSD11B2EPHX2CNR2
SCHEMBL2823388 0.90 HSD11B1 (0.49) HSD11B1STSHSD11B2EPHX2CNR2
SCHEMBL2826370 0.89 HSD11B1 (0.38) HSD11B1STSHSD11B2EPHX2CNR2
SCHEMBL2826372 0.89 HSD11B1 (0.38) HSD11B1STSHSD11B2EPHX2CNR2
SCHEMBL2823974 0.81 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL2823970 0.81 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL2824714 0.81 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL2824721 0.81 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL2826228 0.80 SIGMAR1 (0.41) HSD11B1HSD11B2SIGMAR1

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