SCHEMBL8307419

SCHEMBL8307419

O=C(O)Nc1c(Cl)cc(-c2nn(C3CCN(CCCC(F)(F)F)CC3)c(=O)o2)c2c1OCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 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
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 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
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR1E P28566 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
ADRA1A P35348 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 0.90 HTR4 (0.46) HTR4CHRM2CHRM4HTR1ACHRM5
SCHEMBL8308397 0.85 HTR4 (0.49) HTR4CHRM2ADRA2AADRA2BADRA2C
SCHEMBL8307581 0.85 GPR55 (0.38) HTR4CNR1GPR55
SCHEMBL8306207 0.82 GPR55 (0.35) HTR4CNR1GPR55
SCHEMBL8364679 0.81 CNR1 (0.36) HTR4CNR1GPR55MEN1KMT2A
SCHEMBL8308257 0.79 NR3C1 (0.39) HTR4CNR1GPR55
SCHEMBL6956244 0.79 FSCN1 (0.33) HTR4CNR1GPR55
SCHEMBL7799596 0.78 HTR4 (0.36) HTR4CHRM2CHRM4HTR1ACHRM5
SCHEMBL7799605 0.78 GPR55 (0.34) HTR4CNR1GPR55
SCHEMBL7749150 0.77 MDM2 (0.37) HTR4CNR1GPR55

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-0863897-B1 5-PHENYL-3-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOL-2(3H)-ONE DERIVATIVES FOR USE AS 5-HT4- OR H3-RECEPTOR LIGANDS SYNTHELABO (FR) 1999-06-16 EP disclosed