SCHEMBL9650872

SCHEMBL9650872

COc1ccccc1N1CCN(CCCCNC(=O)c2cccnc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.80
DRD3 P35462 10/20 0.80
DRD4 P21917 7/20 0.80
HTR1A P08908 4/20 0.74
ADRA1D P25100 2/20 0.74
ADRA1A P35348 2/20 0.74
ADRA1B P35368 2/20 0.74
HTR2A P28223 3/20 0.71
HTR2C P28335 1/20 0.71
KCNH2 Q12809 1/20 0.71

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
SCHEMBL9653836 0.97 DRD2 (0.75) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL14761722 0.89 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL14761605 0.88 DRD2 (0.98) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL14761584 0.86 DRD2 (0.94) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL3086024 0.83 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL17194866 0.83 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL10950772 0.83 DRD2 (0.98) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL6053607 0.83 DRD2 (0.94) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL4527831 0.83 DRD3 (1.00) DRD2DRD3DRD4HTR1AADRA1D
Bp-897 SCHEMBL26086545 0.82 DRD2 (0.96) DRD2DRD3DRD4HTR1AADRA1D

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