SCHEMBL20165873

SCHEMBL20165873

Fc1ccc(OC2CN(N3CC(Oc4c(F)cccc4F)C3)C2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.46
SLC6A4 P31645 6/20 0.46
SLC6A3 Q01959 4/20 0.46
HTR1A P08908 10/20 0.38
GRIN1 Q05586 6/20 0.38
GRIN2B Q13224 6/20 0.38
SCN9A Q15858 1/20 0.37
DRD4 P21917 1/20 0.35
ADRA1A P35348 1/20 0.35
SMO Q99835 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
SCHEMBL3123426 0.76 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL20165874 0.76 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3SCN9A
SCHEMBL20165493 0.75 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3GRIN1GRIN2B
SCHEMBL20165881 0.71 SLC6A4 (0.60) SLC6A2SLC6A4SLC6A3HTR1AGRIN1
SCHEMBL24180233 0.71 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3HTR1AGRIN1
SCHEMBL20176375 0.71 SLC6A4 (0.55) SLC6A2SLC6A4SLC6A3GRIN1GRIN2B
SCHEMBL20165896 0.71 RBP4 (0.41) SLC6A2SLC6A4SLC6A3GRIN1GRIN2B
SCHEMBL9596400 0.71 SCN9A (0.46) SLC6A2SLC6A4SLC6A3SCN9A
SCHEMBL3123418 0.70 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL22296699 0.70 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541784-B1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2023-09-13 EP disclosed
EP-3541784-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION Integrative Research Laboratories Sweden AB (SE) 2019-09-25 EP disclosed
WO-2018091687-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2018-05-24 WO disclosed