SCHEMBL6059869

SCHEMBL6059869

O=C(C1CCc2[nH]cnc2C1)n1ccc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.44
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A4 P31645 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
TFPI2 P48307 1/20 0.42
NPY4R P50391 1/20 0.42
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOTUM Q6P988 1/20 0.39
ADRA1A P35348 2/20 0.36
CHRNB2 P17787 1/20 0.36

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
SCHEMBL9049190 0.76 HTR3A (0.43) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL9052046 0.74 BCHE (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL31435509 0.74 TFPI2 (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7024843 0.74 TFPI2 (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6850905 0.73 HTR3A (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3182983 0.73 HPGD (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9050600 0.73 KEAP1 (0.55) TSHRNOTUM
SCHEMBL1023584 0.73 TSHR (0.59) TFPI2TSHRRAB9ANOTUM
SCHEMBL1023583 0.73 TSHR (0.59) TFPI2TSHRRAB9ANOTUM
SCHEMBL6851375 0.72 HTR3A (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006516977-A 2006-07-13 JP claimed
EP-1567163-A4 METHOD OF TREATING NAUSEA, VOMITING, RETCHING OR ANY COMBINATION THEREOF DYNOGEN PHARMACEUTICALS INC (US) 2006-01-18 EP claimed
EP-1567163-A2 METHOD OF TREATING NAUSEA, VOMITING, RETCHING OR ANY COMBINATION THEREOF Dynogen Pharmaceuticals Inc. (US) 2005-08-31 EP claimed
WO-2004062624-A2 METHOD OF TREATING NAUSEA, VOMITING, RETCHING OR ANY COMBINATION THEREOF DYNOGEN PHARMACEUTICALS, INC. (US) 2004-07-29 WO claimed