SCHEMBL6579703

SCHEMBL6579703

N#Cc1ccc(Cl)cc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.78
ADRA1B P35368 17/20 0.78
ADRA1A P35348 8/20 0.78
ADRA1D P25100 1/20 0.58

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
SCHEMBL6580037 0.88 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1D
SCHEMBL6579915 0.86 ADRA1B (1.00) HTR1AADRA1BADRA1AADRA1D
SCHEMBL6577806 0.85 ADRA1B (0.98) HTR1AADRA1BADRA1AADRA1D
SCHEMBL6581943 0.85 HTR1A (0.82) HTR1AADRA1BADRA1AADRA1D
SCHEMBL6579820 0.85 HTR1A (0.80) HTR1AADRA1BADRA1AADRA1D
SCHEMBL6580011 0.74 HTR1A (0.74) HTR1AADRA1BADRA1AADRA1D
SCHEMBL6582012 0.73 ADRA1B (1.00) HTR1AADRA1BADRA1AADRA1D
SCHEMBL6582852 0.72 ADRA1B (1.00) HTR1AADRA1BADRA1AADRA1D
SCHEMBL6577718 0.72 ADRA1B (1.00) HTR1AADRA1BADRA1AADRA1D
SCHEMBL6577905 0.72 HTR1A (1.00) HTR1AADRA1BADRA1AADRA1D

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 2 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-B1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI CHEM PHARM (IT) 2004-11-24 EP disclosed