SCHEMBL8886409

SCHEMBL8886409

CCCN(CCC)C1COc2ccc3c(c2C1)=CCN=3

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL8316702 0.83 DRD2 (0.40) DRD2DRD3
SCHEMBL8888288 0.73 DRD2 (0.48) DRD2DRD3
SCHEMBL8823677 0.71 DRD2 (0.64) DRD2DRD3
SCHEMBL8823692 0.71 DRD2 (0.57) DRD2DRD3
Hydrochloric Acid SCHEMBL9619871 0.70 DRD2 (0.62) DRD2DRD3
Hydrochloric Acid SCHEMBL9786965 0.70 DRD2 (0.62) DRD2DRD3
SCHEMBL8874824 0.69 HTR1A (0.60) DRD2DRD3
SCHEMBL2217080 0.69 HTR1A (0.66) DRD2
Hydrochloric Acid SCHEMBL9620015 0.68 HTR1A (0.65) DRD2
Hydrochloric Acid SCHEMBL8877408 0.68 DRD2 (0.48) DRD2DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650427-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1997-07-22 US disclosed
US-5461061-A Antidepressants WIKSTROM HAKAN V (NL) 1995-10-24 US disclosed
US-5288748-A Antidepressants THE UPJOHN COMPANY (US) 1994-02-22 US disclosed