SCHEMBL3949752

SCHEMBL3949752

CC(C)(C(=O)NC1C2CC3CC(C2)CC1C3)N1CCN(c2ccc(F)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.44
HSD11B2 P80365 2/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 1/20 0.40
CNR2 P34972 2/20 0.40
EPHX2 P34913 1/20 0.38
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38

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
SCHEMBL231241 0.86 HSD11B1 (0.61) HSD11B1HSD11B2
SCHEMBL15899863 0.84 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL3946283 0.81 HSD11B1 (0.46) HSD11B1HSD11B2ALDH1A1MAPTSMN1; SMN2
SCHEMBL230984 0.78 HSD11B1 (0.60) HSD11B1HSD11B2
SCHEMBL233009 0.77 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL231302 0.77 HSD11B1 (0.59) HSD11B1HSD11B2
SCHEMBL3954281 0.76 DRD2 (0.46) HSD11B1EPHX2
SCHEMBL15899912 0.76 HSD11B1 (0.49) HSD11B1HSD11B2
SCHEMBL15899864 0.75 HSD11B1 (0.49) HSD11B1HSD11B2
SCHEMBL234976 0.75 HSD11B1 (0.57) 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
WO-2009026422-A2 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES (US) 2009-02-26 WO disclosed