SCHEMBL3654118

SCHEMBL3654118

COc1ccccc1N1CCN(CCCCOc2ccc3c(=O)[nH]c(=O)[nH]c3c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.74
DRD3 P35462 7/20 0.68
DRD4 P21917 6/20 0.68
SLC6A2 P23975 2/20 0.64
SLC6A4 P31645 2/20 0.64
ADRA1A P35348 1/20 0.63
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL3661243 0.99 DRD2 (0.73) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL252086 0.91 DRD2 (0.88) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL253846 0.88 DRD2 (0.90) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL13160185 0.84 DRD2 (0.70) DRD2DRD3SLC6A2SLC6A4
SCHEMBL13532791 0.84 DRD2 (0.94) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL466948 0.84 DRD2 (0.71) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL3655601 0.83 DRD2 (0.82) DRD2DRD3DRD4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3660497 0.83 DRD2 (0.81) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL10664987 0.81 DRD2 (1.00) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL252623 0.81 DRD2 (1.00) 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
WO-2010099503-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING QUINAZOLINEDIONE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed