SCHEMBL8534451

SCHEMBL8534451

CCC1CN(c2cccc(Cl)c2)CCN1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.55
HTR3E A5X5Y0 2/20 0.55
HTR3B O95264 2/20 0.55
HTR3A P46098 2/20 0.55
HTR3D Q70Z44 2/20 0.55
HTR3C Q8WXA8 2/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTR1A P08908 1/20 0.55
CYP2D6 P10635 1/20 0.55
THRB P10828 1/20 0.55
CYP2C9 P11712 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
SLC6A4 P31645 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTR7 P34969 1/20 0.55
HTR2B P41595 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL29128401 0.86 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30646968 0.86 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29128404 0.86 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1255943 0.83 ADRB1 (0.51) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4240000 0.82 HTR3E (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL12892626 0.82 HTR3E (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2245201 0.82 HTR3E (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30208090 0.82 HTR3E (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4252272 0.82 ADRB1 (0.58) ADRB1HTR2CALDH1A1
SCHEMBL4252269 0.82 ADRB1 (0.58) ADRB1HTR2CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110345250-A A kind of high-temperature and high-presure resistent metallic cover flat shim and preparation method thereof 慈溪埃弗龙密封件有限公司 2019-10-18 CN claimed
CN-110345250-A A kind of high-temperature and high-presure resistent metallic cover flat shim and preparation method thereof 慈溪埃弗龙密封件有限公司 2019-10-18 CN disclosed
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