SCHEMBL8040314

SCHEMBL8040314

O=C(NC1CCc2c(cc(OS(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
HTR1D P28221 2/20 0.39
DRD3 P35462 2/20 0.39
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
ACHE P22303 3/20 0.31
ALDH1A1 P00352 1/20 0.31
HCAR3 P49019 1/20 0.30
ALDH3A1 P30838 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7004613 1.00 DRD2 (0.39) DRD2HTR1DDRD3MTNR1AMTNR1B
SCHEMBL7007666 0.77 DRD2 (0.62) DRD2HTR1DDRD3MTNR1AMTNR1B
SCHEMBL8173009 0.77 DRD2 (0.62) DRD2HTR1DDRD3MTNR1AMTNR1B
SCHEMBL6949943 0.68 RB1 (0.35) DRD2DRD3MTNR1AMTNR1BCA1
SCHEMBL6949950 0.68 RB1 (0.35) DRD2DRD3MTNR1AMTNR1BCA1
SCHEMBL9134353 0.64 DRD2 (0.62) DRD2HTR1DDRD3MTNR1AMTNR1B
SCHEMBL353332 0.64 DRD2 (0.62) DRD2HTR1DDRD3MTNR1AMTNR1B
SCHEMBL7543112 0.64 DRD2 (0.62) DRD2HTR1DDRD3MTNR1AMTNR1B
SCHEMBL3441770 0.63 PNMT (0.50)
SCHEMBL21798809 0.63 MTNR1A (0.49) MTNR1AMTNR1BCA1CA2ACHE

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
US-6107318-A PSYCHOLOGICAL DISORDERS ZAMBON GROUP S.P.A. (IT) 2000-08-22 US disclosed
EP-0988296-A1 NAPHTHOTHIAZOLONE DERIVATIVES ACTIVE ON THE D 3 DOPAMINERGIC RECEPTOR ZAMBON GROUP S.p.A. (IT) 2000-03-29 EP disclosed
WO-1998056778-A1 NAPHTHOTHIAZOLONE DERIVATIVES ACTIVE ON THE D3 DOPAMINERGIC RECEPTOR ZAMBON GROUP S.P.A. (IT) 1998-12-17 WO disclosed