SCHEMBL9652182

SCHEMBL9652182

COc1ccccc1N1CCN(CCNC(=O)c2ccsc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.72
HTR1A P08908 5/20 0.72
ADRA1A P35348 2/20 0.71
DRD3 P35462 3/20 0.70
DRD4 P21917 4/20 0.70
ADRA2A P08913 1/20 0.68

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
SCHEMBL9652828 0.93 DRD2 (0.81) DRD2HTR1AADRA1ADRD3DRD4
SCHEMBL7703066 0.87 DRD2 (0.85) DRD2HTR1AADRA1ADRD3DRD4
SCHEMBL6596142 0.84 HTR1A (1.00) HTR1A
SCHEMBL10911336 0.84 DRD2 (1.00) DRD2HTR1AADRA1ADRD3DRD4
SCHEMBL9652768 0.84 ALDH1A1 (0.63) DRD2HTR1AADRA1ADRD3DRD4
Hydrochloric Acid SCHEMBL6599417 0.82 HTR1A (0.96) HTR1A
SCHEMBL14761584 0.81 DRD2 (0.94) DRD2HTR1AADRA1ADRD3DRD4
SCHEMBL9650932 0.80 ADRA1A (0.70) DRD2HTR1AADRA1ADRD4
SCHEMBL3966648 0.80 HTR1A (1.00) DRD2HTR1AADRA1ADRD4
SCHEMBL10911858 0.80 DRD2 (0.85) DRD2HTR1AADRA1ADRD3DRD4

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