SCHEMBL7369645

SCHEMBL7369645

COc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
DRD3 P35462 5/20 0.69
DRD2 P14416 2/20 0.69
MEN1 O00255 1/20 0.68
POLB P06746 1/20 0.68
KMT2A Q03164 1/20 0.68
DRD4 P21917 3/20 0.68
SLC6A2 P23975 2/20 0.66
SLC6A4 P31645 2/20 0.66
GFER P55789 1/20 0.63

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
SCHEMBL18507057 0.90 DRD3 (0.70) DRD3DRD2DRD4SLC6A2SLC6A4
SCHEMBL10724020 0.89 MAPT (0.75) ALDH1A1DRD3DRD2POLBSLC6A2
SCHEMBL7369877 0.88 DRD3 (0.77) KDM4EALDH1A1DRD3DRD2POLB
SCHEMBL4521840 0.86 DRD4 (0.77) DRD3DRD2DRD4
SCHEMBL7371815 0.85 DRD2 (0.84) DRD3DRD2POLBDRD4SLC6A4
SCHEMBL31061220 0.84 DRD3 (0.84) DRD3DRD2POLBDRD4
SCHEMBL10826820 0.84 DRD2 (0.68) DRD3DRD2POLBSLC6A2SLC6A4
SCHEMBL10379079 0.83 CYP2C9 (0.73) KDM4EALDH1A1POLB
SCHEMBL3124560 0.83 POLB (0.81) ALDH1A1MEN1POLBKMT2A
SCHEMBL2355678 0.80 DRD3 (0.72) DRD3DRD2DRD4

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
EP-0714292-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE INC (US) 1996-10-09 EP claimed
EP-0714292-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-06-05 EP claimed
WO-1995000131-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE, INCORPORATED (US) 1995-01-05 WO claimed