SCHEMBL7322671

SCHEMBL7322671

CC(C)CNCC1CCc2ccc(O)cc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.65
DRD4 P21917 2/20 0.65
DRD3 P35462 2/20 0.65
DRD1 P21728 1/20 0.65
DRD5 P21918 1/20 0.65

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
Oxalic Acid SCHEMBL7318073 0.94 DRD2 (0.69) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7317264 0.88 DRD2 (0.63) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7323190 0.83 DRD2 (0.73) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7321831 0.83 DRD2 (0.66) DRD2DRD4DRD3DRD1DRD5
Oxalic Acid SCHEMBL7311582 0.83 DRD2 (0.72) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7320041 0.82 HTR1A (0.55)
SCHEMBL7318081 0.81 NFKB1 (0.48)
SCHEMBL7310505 0.81 DRD2 (0.81) DRD2DRD4DRD3DRD1DRD5
SCHEMBL1888454 0.81 NFKB1 (0.50)
SCHEMBL8844822 0.81 DRD2 (0.86) DRD2DRD4DRD3DRD1DRD5

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 claimed