SCHEMBL8531016

SCHEMBL8531016

CCC1NCCN(c2cccc(Cl)c2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.62
SLC6A2 P23975 4/20 0.62
SLC6A3 Q01959 4/20 0.62
DRD2 P14416 6/20 0.46
DRD3 P35462 4/20 0.46
KCNH2 Q12809 4/20 0.46
HTR1A P08908 2/20 0.46
CYP2D6 P10635 2/20 0.46
HTR2A P28223 2/20 0.46
HTR1D P28221 1/20 0.46
HRH1 P35367 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL8534081 0.82 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL8473063 0.82 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL13664778 0.76 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL13664680 0.76 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL28472285 0.74 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3DRD2HTR3E
SCHEMBL28470764 0.74 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3DRD2HTR3E
Hydrochloric Acid SCHEMBL7258862 0.73 DHFR (0.40) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL13664679 0.73 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3HTR3EHTR3B
SCHEMBL7344849 0.71 ALOX5 (0.59) SLC6A4DRD2DRD3KCNH2HTR1A
SCHEMBL8534451 0.71 ADRB1 (0.55) SLC6A4HTR1ACYP2D6HTR2AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739334-A CHEMICAL INTERMEDIATES FOR NEW ANTIDEPRESSANT WITH SIDE EFFECT REDUCTION ISTITUTO RICERCA FRANCESCO ANGELINI S.P.A. (IT) 1998-04-14 US disclosed
US-5726178-A Alkyl derivatives of trazodone with CNS activity ISTITUTO RICERCA FRANCESCO ANGELINI S.P.A. (IT) 1998-03-10 US disclosed
US-5543563-A ANTIDEPRESSANTS; SIDE EFFECT REDUCTION ISTITUTO RICERCA FRANCESCO ANGELINI S.P.A. (IT) 1996-08-06 US disclosed
EP-0623131-B1 ALKYL DERIVATIVES OF TRAZODONE WITH CNS ACTIVITY ANGELINI RICERCHE SPA (IT) 1996-04-03 EP disclosed
EP-0623131-A1 ALKYL DERIVATIVES OF TRAZODONE WITH CNS ACTIVITY. ANGELINI FRANCESCO IST RICERCA (IT) 1994-11-09 EP disclosed
WO-1993014091-A1 ALKYL DERIVATIVES OF TRAZODONE WITH CNS ACTIVITY ISTITUTO RICERCA FRANCESCO ANGELINI S.P.A. (IT) 1993-07-22 WO disclosed