SCHEMBL4484653

SCHEMBL4484653

CC(C)Oc1ccccc1N1CCN(CC2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR1B P28222 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL4490404 0.91 DRD2 (0.58) HSD11B1DRD2DRD3HTR1AADRA1D
SCHEMBL13919815 0.89 DRD2 (0.60) HSD11B1DRD2DRD3HTR1AADRA1D
SCHEMBL13919809 0.88 DRD2 (0.57) HSD11B1DRD2DRD3HTR1AADRA1D
SCHEMBL4487563 0.87 HSD11B1 (0.56) HSD11B1
SCHEMBL4479630 0.87 HSD11B1 (0.48) HSD11B1DRD2DRD3HTR1AADRA1D
SCHEMBL13932980 0.86 HSD11B1 (0.56) HSD11B1DRD2DRD3
SCHEMBL13932979 0.86 HSD11B1 (0.56) HSD11B1DRD2DRD3
SCHEMBL4481410 0.86 HSD11B1 (0.55) HSD11B1
SCHEMBL13932981 0.86 HSD11B1 (0.52) HSD11B1DRD2DRD3
SCHEMBL4482583 0.85 HSD11B1 (0.53) HSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511141-B2 Piperidine-piperazine ligands for neurotransmitter receptors SEPRACOR, INC. (US) 2009-03-31 US claimed
US-7511141-B2 Piperidine-piperazine ligands for neurotransmitter receptors SEPRACOR, INC. (US) 2009-03-31 US disclosed
US-7511141-B2 Piperidine-piperazine ligands for neurotransmitter receptors SEPRACOR, INC. (US) 2009-03-31 US disclosed