SCHEMBL7799596

SCHEMBL7799596

CCCCN1C2CCC1CC(n1nc(-c3cc(Cl)c(NC(=O)O)c4c3OCCO4)oc1=O)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.36
HTR2C P28335 3/20 0.36
HTR3A P46098 3/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2C P18825 2/20 0.36
HTR1D P28221 2/20 0.36
HTR2A P28223 2/20 0.36
ADRA1A P35348 2/20 0.36
HTR2B P41595 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD5 P21918 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1E P28566 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
SCHEMBL8309066 0.88 HTR4 (0.46) HTR4HTR2CHTR3AADRA2AADRA2C
SCHEMBL7810023 0.87 CHRNA7 (0.38) DRD2GPR55
SCHEMBL7799598 0.85 HTR4 (0.44) HTR4HTR2CHTR3AADRA2AADRA2C
Bromide SCHEMBL7946667 0.84 HTR4 (0.43) HTR4HTR2CHTR3AADRA2AADRA2C
SCHEMBL8307581 0.83 GPR55 (0.38) HTR4GPR55
SCHEMBL7799605 0.82 GPR55 (0.34) HTR4GPR55
SCHEMBL8306207 0.80 GPR55 (0.35) HTR4GPR55CYP3A4CYP2D6CYP2C9
SCHEMBL6956244 0.79 FSCN1 (0.33) HTR4GPR55CYP3A4CYP2D6CYP2C9
SCHEMBL7804900 0.77 BRD4 (0.33) DRD2
Hydrochloric Acid SCHEMBL7946906 0.76 DRD2 (0.33) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975631-B1 5-ARYL-3-(8-AZABICYCLO[3.2.1]OCT-3-YL)-1,3,4-OXADIAZOL-2(3H)-ONE DERIVATIVES AS 5-HT4 RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2001-10-04 EP disclosed
US-6255319-B1 ANTISEROTONIN AGENT SANOFI-SYNTHELABO (FR) 2001-07-03 US disclosed