SCHEMBL9432207

SCHEMBL9432207

CCCN(C(=O)CC)C1COc2ccc3c(c2C1)=C(C=O)CN=3

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.36

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
SCHEMBL8888288 0.86 DRD2 (0.48) DRD2DRD3
SCHEMBL8316702 0.78 DRD2 (0.40) DRD2DRD3
SCHEMBL8313876 0.72 DRD2 (0.38) DRD2
SCHEMBL9432211 0.72 DRD2 (0.37) DRD2DRD3
SCHEMBL8316705 0.71 DRD2 (0.40) DRD2
SCHEMBL8317465 0.70 DRD2 (0.41) DRD2
SCHEMBL7439814 0.69 DRD2 (0.44) DRD2DRD3
SCHEMBL8311861 0.69 DRD3 (0.47) DRD2DRD3
SCHEMBL7449574 0.65 DRD3 (0.44) DRD2DRD3
SCHEMBL9441776 0.62 HTR1A (0.48) DRD2

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-5288748-A Antidepressants THE UPJOHN COMPANY (US) 1994-02-22 US claimed