SCHEMBL7320065

SCHEMBL7320065

CCCCCNCC1CCc2ccc(OC(=O)C(=O)Oc3ccc4c(c3)OC(CNCCCCC)CC4)cc2O1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.68
DRD1 P21728 1/20 0.68
DRD4 P21917 1/20 0.68
DRD5 P21918 1/20 0.68
DRD3 P35462 1/20 0.68
HTR6 P50406 1/20 0.55

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
SCHEMBL7316568 0.92 DRD2 (0.57) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7315046 0.87 DRD2 (0.64) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7311588 0.85 HTR6 (0.50) DRD2DRD1DRD4DRD5DRD3
Oxalic Acid SCHEMBL7313142 0.84 DRD2 (0.70) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9089665 0.84 HTR6 (0.52) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7319400 0.83 HTR1A (0.64) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7318081 0.83 NFKB1 (0.48) HTR6
SCHEMBL7309245 0.82 DRD2 (0.87) DRD2DRD1DRD4DRD5DRD3
Oxalic Acid SCHEMBL7320058 0.82 DRD2 (0.98) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7322386 0.81 HTR6 (0.48) DRD2DRD1DRD4DRD5DRD3

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-5684039-A Chroman-2-ylmethylamino derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1997-11-04 US disclosed