SCHEMBL7703653

SCHEMBL7703653

COc1ccccc1N1CCN(CCNC(=O)CCc2ccccc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.83
DRD3 P35462 2/20 0.83
HTR1A P08908 2/20 0.68
ADRA1D P25100 1/20 0.67
ADRA1A P35348 1/20 0.67
ADRA1B P35368 1/20 0.67
DRD4 P21917 1/20 0.66
HTR7 P34969 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
SCHEMBL9652838 0.89 DRD2 (0.69) DRD2DRD3HTR1AADRA1ADRD4
SCHEMBL7703066 0.82 DRD2 (0.85) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL6238933 0.82 DRD2 (0.72) DRD2DRD3HTR1AADRA1ADRD4
SCHEMBL9653869 0.82 DRD2 (0.78) DRD2DRD3HTR1AADRA1ADRD4
SCHEMBL14007328 0.81 HTR7 (0.69) DRD2DRD3HTR1AHTR7
SCHEMBL5442134 0.81 ADRA1D (1.00) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL8446460 0.80 DRD2 (0.85) DRD2HTR1AADRA1ADRD4
SCHEMBL6264690 0.80 DRD2 (0.72) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL9652768 0.79 ALDH1A1 (0.63) DRD2DRD3HTR1AADRA1ADRD4
SCHEMBL23054969 0.79 MAPK1 (0.63) DRD2DRD3ADRA1DADRA1AADRA1B

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
US-6344458-B1 CENTRAL NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2002-02-05 US disclosed