SCHEMBL8470733

SCHEMBL8470733

C1=C(c2ccccc2)CCN(CC[C@H]2CC[C@H](Nc3ncccn3)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 1.00
DRD3 P35462 16/20 1.00
DRD4 P21917 1/20 0.47

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
SCHEMBL8470731 1.00 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL4483845 0.78 DRD2 (0.64) DRD2DRD3DRD4
SCHEMBL9773137 0.78 DRD2 (0.64) DRD2DRD3DRD4
SCHEMBL8470807 0.78 DRD2 (1.00) DRD2DRD3
SCHEMBL8470805 0.78 DRD2 (1.00) DRD2DRD3
SCHEMBL4483728 0.77 DRD2 (0.62) DRD2DRD3DRD4
SCHEMBL9203036 0.77 DRD2 (0.67) DRD2DRD3
SCHEMBL9199501 0.77 DRD2 (0.67) DRD2DRD3
SCHEMBL9206102 0.77 DRD2 (0.67) DRD2DRD3
SCHEMBL8473280 0.77 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 1 patent. 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