SCHEMBL8472397

SCHEMBL8472397

c1cnc(N[C@H]2CC[C@H](CCN3CCN(c4cnccn4)CC3)CC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 1.00
DRD3 P35462 17/20 1.00

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
SCHEMBL8470799 0.86 DRD2 (1.00) DRD2DRD3
SCHEMBL8470803 0.86 DRD2 (1.00) DRD2DRD3
Hydrochloric Acid SCHEMBL8472401 0.85 DRD2 (0.98) DRD2DRD3
Hydrochloric Acid SCHEMBL8472405 0.85 DRD2 (0.98) DRD2DRD3
SCHEMBL8470948 0.84 DRD2 (1.00) DRD2DRD3
SCHEMBL8470947 0.84 DRD2 (1.00) DRD2DRD3
SCHEMBL8470842 0.83 DRD2 (1.00) DRD2DRD3
SCHEMBL8470836 0.83 DRD2 (1.00) DRD2DRD3
SCHEMBL8473283 0.80 DRD2 (1.00) DRD2DRD3
SCHEMBL8473280 0.80 DRD2 (1.00) 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 4 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
WO-1997011070-A1 SUBSTITUTED CYCLOHEXYLAMINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-03-27 WO 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