SCHEMBL6967209

SCHEMBL6967209

CCCCN1CCC(n2nc(-c3cc(Cl)c(NC(=O)O)cc3OC)oc2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.37
DRD3 P35462 4/20 0.36
DRD2 P14416 3/20 0.36
HTR4 Q13639 4/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 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
SCHEMBL8307501 0.86 GPR55 (0.39) DRD4KMT2A
SCHEMBL6961633 0.85 HTR4 (0.47) HTR4KMT2AMEN1ALDH1A1CYP2D6
Bromide SCHEMBL7744560 0.84 HTR4 (0.46) HTR4KMT2AMEN1ALDH1A1CYP2D6
SCHEMBL8310238 0.83 DRD4 (0.48) DRD4DRD3DRD2KMT2AMEN1
SCHEMBL7799610 0.81 HTR4 (0.38) HTR4KMT2AMEN1ALDH1A1CYP2D6
SCHEMBL8308838 0.81 DRD4 (0.38) DRD4HTR4ALDH1A1TSHR
SCHEMBL7799616 0.79 HTR4 (0.36) DRD4HTR4KMT2AMEN1ALDH1A1
SCHEMBL6958303 0.79 DRD4 (0.41) DRD4ALDH1A1TSHR
SCHEMBL8305942 0.79 TP53 (0.40) KMT2AMEN1ALDH1A1
SCHEMBL8309066 0.76 HTR4 (0.46) DRD3HTR4CYP2D6CYP2C9

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