SCHEMBL9537160

SCHEMBL9537160

OCCN1CCN(c2cccc(F)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.51
HTR6 P50406 1/20 0.51
DRD3 P35462 2/20 0.50
HTR1A P08908 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
KCNH2 Q12809 3/20 0.49
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SLC6A4 P31645 1/20 0.46
OPRM1 P35372 1/20 0.46

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
SCHEMBL11167993 0.91 HTR7 (0.54) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL10648046 0.84 KCNH2 (0.53) DRD2HTR7KCNH2SLC6A2SLC6A3
SCHEMBL2094771 0.84 KCNH2 (0.50) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL28481556 0.84 DRD2 (0.68) DRD2DRD3HTR7KCNH2
Hydrochloric Acid SCHEMBL10574028 0.83 KCNH2 (0.51) DRD2HTR7KCNH2SLC6A2SLC6A3
SCHEMBL20699709 0.82 BPTF (0.54) HTR1AHTR7
SCHEMBL10373948 0.82 BPTF (0.54) HTR1AHTR7
SCHEMBL1598706 0.82 DRD2 (0.74) DRD2DRD3HTR7KCNH2OPRM1
SCHEMBL520966 0.82 ADRA2C (0.62) DRD2DRD3HTR1AHTR7KCNH2
SCHEMBL5178875 0.81 KCNH2 (0.57) DRD2DRD3HTR1AHTR2AHTR2C

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-0254623-B1 AMINOALKYLTHIO TRIAZOLOPYRIDINE OR TRIAZOLOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM, PARTICULARLY USEFUL AS ANTALGICS LABORATOIRES UPSA (FR) 1993-06-09 EP disclosed
US-4886805-A Novel aminoalkylthio derivatives of triazolopyridine or triazoloquinoline, the processes for their preparation, and drugs, useful especially as analgesics, in which they are present Centre D'Activite Et De Recherches Pharmaceutique Industrielle Biologique Medicale (FR) 1989-12-12 US disclosed
EP-0254623-A1 Aminoalkylthio triazolopyridine or triazoloquinoline derivatives, process for their preparation, medicaments containing them, particularly useful as antalgics LABORATOIRES UPSA (FR) 1988-01-27 EP disclosed