SCHEMBL6977618

SCHEMBL6977618

CCCCCCCN1CCC(C[C@H](O)c2ccnc3c(OC)cccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.46
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
HTR1D P28221 1/20 0.46
HTR7 P34969 1/20 0.46
ADRB3 P13945 2/20 0.45
HTR1A P08908 2/20 0.42
KCNH2 Q12809 2/20 0.40
ADRA1B P35368 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNQ1 P51787 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
ADRA1D P25100 1/20 0.40

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
SCHEMBL6626086 0.87 HTR1A (0.47) HTR4HTR2AHTR2BHTR1DHTR7
SCHEMBL6978353 0.85 ADRB3 (0.46) HTR4HTR2AHTR2BHTR1DHTR7
SCHEMBL6976945 0.82 HTR4 (0.57) HTR4HTR2AHTR2BHTR1DHTR7
SCHEMBL6964644 0.80 SLC2A1 (0.55) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6964635 0.80 SLC2A1 (0.55) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6964639 0.80 SLC2A1 (0.55) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6975733 0.79 HTR4 (0.48) HTR4HTR2AHTR2BHTR1DHTR7
SCHEMBL6973562 0.78 HTR4 (0.46) HTR4HTR2AHTR2BHTR1DHTR7
SCHEMBL6970302 0.75 ADRA1A (0.48) HTR1AKCNH2ADRA1BKDM4EALDH1A1
SCHEMBL6628061 0.75 HTR1A (0.54) HTR4HTR2AHTR2BHTR1DHTR7

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