SCHEMBL8535019

SCHEMBL8535019

CC(CCCl)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL11955707 0.85 HTR3E (0.58) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL11162862 0.83 RAD52 (0.50) ALDH1A1MAPTTSHR
SCHEMBL4355720 0.81 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2TSHRNPSR1
SCHEMBL4255355 0.79 ALDH1A1 (0.59) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL11214293 0.78 HTR1A (0.56) ALDH1A1LMNASMN1; SMN2TSHRNPSR1
SCHEMBL6714846 0.78 ALDH1A1 (0.75) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL11100857 0.78 ALDH1A1 (0.75) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL8128745 0.77 HTR3E (0.53) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL8686716 0.76 LMNA (0.52) KCNH2ALDH1A1LMNAMAPTALOX12
SCHEMBL6412443 0.75 MCOLN2 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C

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 5 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
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