SCHEMBL8569631

SCHEMBL8569631

Cc1n[nH]cc1CCN(C)CCc1c(C)[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 6/20 0.71
MAPT P10636 7/20 0.47
HTR1A P08908 3/20 0.45
HTR1D P28221 3/20 0.45
HTR1B P28222 3/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
HTR6 P50406 1/20 0.45
HTR4 Q13639 1/20 0.45
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
EPHB2 P29323 1/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL8598857 0.86 HTR1F (0.81) HTR1FMAPTHTR1AHTR1DHTR1B
Bromide SCHEMBL7138690 0.85 HTR1F (0.80) HTR1FMAPTHTR1AHTR1DHTR1B
SCHEMBL7144771 0.85 HTR1F (0.83) HTR1FMAPTHTR1AHTR1DHTR1B
SCHEMBL7143303 0.84 HTR1F (1.00) HTR1FMAPTHTR1AHTR1DHTR1B
SCHEMBL8196218 0.83 HTR1F (0.75) HTR1FMAPTHTR1AHTR1DHTR1B
SCHEMBL7140234 0.83 HTR1F (0.77) HTR1FMAPTHTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL7138726 0.83 HTR1F (0.98) HTR1FMAPTHTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL7140335 0.82 HTR1F (0.76) HTR1FMAPTHTR1AHTR1DHTR1B
SCHEMBL7141203 0.81 HTR1F (0.73) HTR1FMAPTHTR1AHTR1DHTR1B
Malonic Acid SCHEMBL8215354 0.81 HTR1F (0.70) HTR1FMAPTHTR1AHTR1DHTR1B

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
WO-1998006402-A1 TREATMENT OF THE COMMON COLD OR ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1998-02-19 WO disclosed