SCHEMBL3955709

SCHEMBL3955709

CC(C)(C(=O)NC1C2CC3CC(C2)CC1C3)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.59
HSD11B2 P80365 1/20 0.58
PANK3 Q9H999 1/20 0.43
CNR2 P34972 1/20 0.41
DRD2 P14416 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
SCHEMBL232663 0.86 HSD11B1 (0.78) HSD11B1HSD11B2
SCHEMBL6336789 0.85 HSD11B1 (0.79) HSD11B1HSD11B2
SCHEMBL4215598 0.85 HSD11B1 (0.57) HSD11B1HSD11B2PANK3
SCHEMBL15899769 0.84 HSD11B1 (0.60) HSD11B1HSD11B2
SCHEMBL2053330 0.83 HSD11B1 (0.54) HSD11B1HSD11B2
SCHEMBL3946283 0.81 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL6335915 0.80 HSD11B1 (0.59) HSD11B1HSD11B2PANK3CNR2DRD2
SCHEMBL6335911 0.80 HSD11B1 (0.73) HSD11B1DRD2
SCHEMBL3951382 0.76 HSD11B1 (0.74) HSD11B1HSD11B2
SCHEMBL3954281 0.75 DRD2 (0.46) HSD11B1DRD2

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 claimed