SCHEMBL8524832

SCHEMBL8524832

COc1cnc(N[C@H]2CC[C@H](CCN3CCN(c4ccccc4)CC3)CC2)nc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.76
DRD3 P35462 16/20 0.76

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
SCHEMBL8474497 1.00 DRD2 (0.76) DRD2DRD3
SCHEMBL8473621 0.88 DRD2 (0.79) DRD2DRD3
SCHEMBL8473866 0.86 DRD2 (1.00) DRD2DRD3
SCHEMBL8473863 0.86 DRD2 (1.00) DRD2DRD3
SCHEMBL8472014 0.86 DRD2 (0.79) DRD2DRD3
SCHEMBL8472011 0.86 DRD2 (0.79) DRD2DRD3
SCHEMBL8470825 0.86 DRD2 (0.79) DRD2DRD3
SCHEMBL8473280 0.86 DRD2 (1.00) DRD2DRD3
SCHEMBL8473283 0.86 DRD2 (1.00) DRD2DRD3
Hydrochloric Acid SCHEMBL8470983 0.85 DRD2 (0.98) 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 2 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 disclosed
WO-1997011070-A1 SUBSTITUTED CYCLOHEXYLAMINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-03-27 WO disclosed