SCHEMBL8470779

SCHEMBL8470779

O=C1CCC(CCN2CCN(c3ccccn3)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.65
DRD3 P35462 5/20 0.65
HTR2C P28335 3/20 0.58
HTR1A P08908 3/20 0.58
DRD4 P21917 3/20 0.57
HTR7 P34969 3/20 0.57
HTR2A P28223 2/20 0.57

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
SCHEMBL9195812 0.84 DRD2 (0.61) DRD2DRD3HTR2CHTR1ADRD4
SCHEMBL8523324 0.83 DRD2 (0.70) DRD2DRD3HTR2CHTR1ADRD4
SCHEMBL3849926 0.83 DRD2 (0.70) DRD2DRD3HTR2CHTR1ADRD4
SCHEMBL9773160 0.83 DRD2 (0.70) DRD2DRD3HTR2CHTR1ADRD4
SCHEMBL3849923 0.81 DRD2 (0.66) DRD2DRD3HTR2CHTR1ADRD4
SCHEMBL9371451 0.80 DRD2 (0.56) DRD2DRD3HTR2CHTR1ADRD4
SCHEMBL8470799 0.79 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL8470803 0.79 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL9367275 0.79 DRD2 (0.55) DRD2DRD3HTR2CHTR1ADRD4
SCHEMBL13711971 0.79 KCNH2 (0.71) DRD2DRD3HTR1ADRD4HTR7

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 5 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
WO-1992012977-A1 SUBSTITUTED INDOLES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-08-06 WO disclosed
US-5124332-A Dopaminergic agents, hypotensive agents WARNER-LAMBERT COMPANY (US) 1992-06-23 US disclosed
US-4988699-A Treatment of psychological disorders such as schizophrenia, as antipsychotic agents and hypotensive agents WARNER-LAMBERT COMPANY (US) 1991-01-29 US disclosed