SCHEMBL6961630

SCHEMBL6961630

CCC(C)N1CCC(n2nc(-c3cc(Cl)c(N)cc3OC)oc2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.36
ACHE P22303 1/20 0.35

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
Bromide SCHEMBL7744559 0.99 HTR4 (0.36) HTR4ACHE
SCHEMBL6961633 0.83 HTR4 (0.47) HTR4ACHE
SCHEMBL8305104 0.83 HTR4 (0.44) HTR4
Bromide SCHEMBL7744560 0.82 HTR4 (0.46) HTR4ACHE
Hydrochloric Acid SCHEMBL8368070 0.82 HTR4 (0.43) HTR4
SCHEMBL7804908 0.80 HTR4 (0.48) HTR4
SCHEMBL8304880 0.79 HTR4 (0.44) HTR4ACHE
SCHEMBL8309549 0.79 ACHE (0.51) HTR4ACHE
Bromide SCHEMBL8366387 0.78 HTR4 (0.43) HTR4ACHE
SCHEMBL7808395 0.78 HTR4 (0.45) HTR4

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-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