SCHEMBL9650843

SCHEMBL9650843

COc1ccccc1N1CCN(CCCCNC(=O)c2cccs2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 1.00
ADRA1A P35348 5/20 1.00
ADRA1B P35368 5/20 1.00
DRD2 P14416 8/20 0.73
DRD3 P35462 8/20 0.73
DRD4 P21917 6/20 0.73
HTR1A P08908 4/20 0.73
DRD1 P21728 1/20 0.70
HTR2A P28223 1/20 0.70
HTR2C P28335 1/20 0.70
HTR2B P41595 1/20 0.70

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
SCHEMBL9652244 0.86 ADRA1D (0.84) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL9653810 0.85 DRD2 (0.93) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL9652267 0.84 ADRA1D (0.81) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL14761722 0.84 DRD2 (1.00) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL9652077 0.83 ADRA1D (1.00) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL14761605 0.83 DRD2 (0.98) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL10908587 0.83 DRD2 (0.83) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL9652828 0.83 DRD2 (0.81) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL19580052 0.83 DRD2 (0.81) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL5507438 0.83 DRD3 (1.00) ADRA1DADRA1AADRA1BDRD2DRD3

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