SCHEMBL9652137

SCHEMBL9652137

COc1ccccc1N1CCN(CCCNC(=O)c2ccc[nH]2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.69
DRD3 P35462 6/20 0.69
DRD4 P21917 4/20 0.69
SLC6A2 P23975 1/20 0.68
SLC6A4 P31645 1/20 0.68
HTR1A P08908 2/20 0.66
ADRA2A P08913 1/20 0.66
ADRA1D P25100 1/20 0.66
ADRA1A P35348 1/20 0.66
ADRA1B P35368 1/20 0.66

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
SCHEMBL9653912 0.97 DRD2 (0.74) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL9652784 0.94 DRD2 (0.72) DRD2DRD4HTR1AADRA2AADRA1A
SCHEMBL14761584 0.85 DRD2 (0.94) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL3162960 0.83 DRD2 (0.76) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL6357580 0.83 DRD3 (0.94) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL10910646 0.82 DRD2 (0.94) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL8980577 0.82 DRD2 (0.75) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL14761722 0.82 DRD2 (1.00) DRD2DRD3DRD4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL9134513 0.82 DRD3 (0.91) DRD2DRD3DRD4HTR1A
SCHEMBL9653853 0.81 DRD2 (0.71) DRD2DRD3DRD4SLC6A2SLC6A4

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
EP-0496692-A1 2-Methoxyphenylpiperazine derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1992-07-29 EP claimed