SCHEMBL6956182

SCHEMBL6956182

O=C(O)CCCCN1CC[C@H](n2nc(-c3cc(Cl)c(NC(=O)OCc4ccccc4)c4c3OCCO4)oc2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR4 Q13639 2/20 0.33
CNR1 P21554 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD5 P21918 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1D P28221 1/20 0.33

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
SCHEMBL7749161 0.81 HTR4 (0.45) HTR4LMNACHRM2HTR1AADRA2A
SCHEMBL8309066 0.75 HTR4 (0.46) HTR4LMNACHRM2CHRM4HTR1A
SCHEMBL8366393 0.73 NOTUM (0.41) SMN1; SMN2ALDH1A1MAPTPRKDC
SCHEMBL8368942 0.72 HTR4 (0.38) HTR4CNR1LMNACHRM2CHRM4
SCHEMBL8364679 0.71 CNR1 (0.36) HTR4CNR1GPR55FAAH
SCHEMBL7749150 0.69 MDM2 (0.37) HTR4CNR1MAPTGPR55
SCHEMBL8308257 0.68 NR3C1 (0.39) HTR4CNR1MAPTGPR55
SCHEMBL7799596 0.68 HTR4 (0.36) HTR4LMNACHRM2CHRM4HTR1A
SCHEMBL6956244 0.67 FSCN1 (0.33) HTR4CNR1GPR55CYP2C9
SCHEMBL8365005 0.66 CNR1 (0.37) CNR1GPR55CYP2C9

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-0980368-B1 3-(PYRROLIDIN-3-YL)-1,3,4-OXADIAZOL-2(3H)-ONE DERIVATIVES AND THEIR USE AS 5-HT4 LIGANDS SANOFI SYNTHELABO (FR) 2003-10-22 EP disclosed
US-6248757-B1 ANTISEROTONINE AGENTS SANOFI-SYNTHELABO (FR) 2001-06-19 US disclosed