SCHEMBL9484392

SCHEMBL9484392

CN1CCOc2c(C(=O)NCC3CCCN3CCc3ccccc3)cc([N+](=O)[O-])cc21

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.77
HTR1A P08908 1/20 0.51

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
SCHEMBL9484384 1.00 DRD2 (0.77) DRD2HTR1A
SCHEMBL9485071 1.00 DRD2 (0.77) DRD2HTR1A
SCHEMBL7269052 0.87 DRD2 (0.75) DRD2
SCHEMBL9485427 0.87 DRD2 (0.81) DRD2HTR1A
SCHEMBL9484947 0.87 DRD2 (1.00) DRD2
SCHEMBL9484923 0.87 DRD2 (1.00) DRD2
SCHEMBL9485418 0.87 DRD2 (0.81) DRD2HTR1A
SCHEMBL9486441 0.87 DRD2 (0.81) DRD2HTR1A
SCHEMBL9484930 0.87 DRD2 (1.00) DRD2
SCHEMBL9484784 0.78 DRD2 (0.70) DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185333-A Dopamine D2 receptor blocking agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-02-09 US claimed
US-5185333-A Dopamine D2 receptor blocking agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-02-09 US disclosed