SCHEMBL6580070

SCHEMBL6580070

Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 1.00
ADRA1B P35368 16/20 1.00
ADRA1A P35348 8/20 1.00
ADRA1D P25100 7/20 0.63
DRD2 P14416 4/20 0.63
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
THPO P40225 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL6580540 0.89 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1D
SCHEMBL6577905 0.89 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6579957 0.89 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL14416822 0.79 HTR1A (0.78) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6752779 0.77 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6577695 0.77 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6582012 0.77 ADRA1B (1.00) HTR1AADRA1BADRA1AADRA1D
SCHEMBL6752801 0.77 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6751064 0.76 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2
Bmy-7378 SCHEMBL6017145 0.76 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1DDRD2

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