SCHEMBL6976945

SCHEMBL6976945

CCCCCCCN1CCC(COc2ccnc3c(OC)cccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.57
HTR7 P34969 6/20 0.57
HTR2B P41595 6/20 0.57
HTR2A P28223 4/20 0.57
HTR1D P28221 2/20 0.57
HTR2C P28335 6/20 0.46
HTR3A P46098 5/20 0.46
HTR1A P08908 4/20 0.46
HRH3 Q9Y5N1 2/20 0.44
HTR5A P47898 1/20 0.44
HTR6 P50406 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL6975733 0.83 HTR4 (0.48) HTR4HTR7HTR2BHTR2AHTR1D
SCHEMBL6977618 0.82 HTR4 (0.46) HTR4HTR7HTR2BHTR2AHTR1D
SCHEMBL6973562 0.82 HTR4 (0.46) HTR4HTR7HTR2BHTR2AHTR1D
SCHEMBL6978353 0.80 ADRB3 (0.46) HTR4HTR7HTR2BHTR2AHTR1D
SCHEMBL6628061 0.79 HTR1A (0.54) HTR4HTR7HTR2BHTR2AHTR1D
SCHEMBL6974309 0.79 CCR8 (0.57) HTR4HTR1AKCNH2
SCHEMBL3692453 0.78 HTR1A (0.49) HTR4HTR7HTR2BHTR2AHTR1D
SCHEMBL348618 0.77 HTR1A (0.57) HTR1A
SCHEMBL6970302 0.77 ADRA1A (0.48) HTR1AKCNH2
SCHEMBL6221872 0.76 CHRM3 (0.58) HTR1A

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
EP-1051413-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-04 EP claimed