SCHEMBL8470828

SCHEMBL8470828

c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ccccn4)CC3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.79
DRD3 P35462 17/20 0.79

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
SCHEMBL8470827 1.00 DRD2 (0.79) DRD2DRD3
SCHEMBL8473283 0.88 DRD2 (1.00) DRD2DRD3
SCHEMBL8473280 0.88 DRD2 (1.00) DRD2DRD3
SCHEMBL8473655 0.88 DRD2 (0.71) DRD2DRD3
SCHEMBL8473312 0.88 DRD2 (0.71) DRD2DRD3
SCHEMBL8473310 0.88 DRD2 (0.71) DRD2DRD3
SCHEMBL8473660 0.88 DRD2 (0.71) DRD2DRD3
Hydrochloric Acid SCHEMBL8470975 0.87 DRD2 (0.98) DRD2DRD3
Hydrochloric Acid SCHEMBL8470983 0.87 DRD2 (0.98) DRD2DRD3
SCHEMBL8472275 0.84 DRD2 (0.76) 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-5977110-A Substituted cyclohexylamines as central nervous systems agents WARNER-LAMBERT COMPANY (US) 1999-11-02 US claimed
US-5977110-A Substituted cyclohexylamines as central nervous systems agents WARNER-LAMBERT COMPANY (US) 1999-11-02 US disclosed
WO-1997011070-A1 SUBSTITUTED CYCLOHEXYLAMINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-03-27 WO disclosed