SCHEMBL6580134

SCHEMBL6580134

O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(C(F)(F)F)ccc2F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 1.00
ADRA1B P35368 14/20 0.79
ADRA1A P35348 8/20 0.77
ADRA1D P25100 7/20 0.77
DRD2 P14416 5/20 0.77

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
SCHEMBL6752801 0.87 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6579957 0.85 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6752779 0.83 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6751064 0.82 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL9844858 0.82 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL9229653 0.79 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6754644 0.79 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6752752 0.76 HTR1A (0.76) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6581749 0.76 ADRA1B (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL9844900 0.76 HTR1A (0.88) HTR1AADRA1BADRA1ADRD2

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
EP-1200406-B1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI CHEM PHARM (IT) 2004-11-24 EP claimed
EP-1200406-A1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-05-02 EP claimed
WO-2001005765-A1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-01-25 WO claimed
EP-1200406-B1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI CHEM PHARM (IT) 2004-11-24 EP disclosed