SCHEMBL6975733

SCHEMBL6975733

CCCCCCCN1CCC(CCCc2ccnc3c(OC)cccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.48
HTR1D P28221 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
HTR2B P41595 1/20 0.48
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.46
HTR1A P08908 3/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
KCNH2 Q12809 1/20 0.42
ENPP1 P22413 1/20 0.41

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
SCHEMBL6628061 0.89 HTR1A (0.54) HTR4HTR1DHTR2AHTR7HTR2B
SCHEMBL6978175 0.84 HTR1A (0.38) HTR4HTR1DHTR2AHTR7HTR2B
SCHEMBL6978353 0.83 ADRB3 (0.46) HTR4HTR1DHTR2AHTR7HTR2B
SCHEMBL6976945 0.83 HTR4 (0.57) HTR4HTR1DHTR2AHTR7HTR2B
SCHEMBL6977618 0.79 HTR4 (0.46) HTR4HTR1DHTR2AHTR7HTR2B
SCHEMBL6973562 0.79 HTR4 (0.46) HTR4HTR1DHTR2AHTR7HTR2B
SCHEMBL6975728 0.79 CCR8 (0.56) SIGMAR1KCNH2
SCHEMBL6970302 0.75 ADRA1A (0.48) CHRM3HTR1AADRA1DADRA1AADRA1B
SCHEMBL6221872 0.74 CHRM3 (0.58) CHRM3HTR1AADRA1DADRA1AADRA1B
SCHEMBL6221055 0.73 HTR4 (0.41) HTR4HTR1DHTR2AHTR7HTR2B

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