SCHEMBL8534452

SCHEMBL8534452

CC(c1cccc(Cl)c1)C1CNCCN1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.49
SLC6A2 P23975 6/20 0.49
SLC6A3 Q01959 6/20 0.49
CYP2D6 P10635 1/20 0.40
HTR6 P50406 5/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL6446174 0.80 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL27720231 0.79 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3CYP2D6HTR6
SCHEMBL16757084 0.73 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL6447627 0.72 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL8531021 0.71 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3HTR6
SCHEMBL7007764 0.71 SLC6A2 (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL552077 0.70 SLC6A3 (0.46) SLC6A4SLC6A2SLC6A3CYP2D6HTR6
SCHEMBL6504554 0.70 SLC6A2 (0.35) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6540298 0.69 SLC6A2 (0.36) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6336901 0.69 SLC6A2 (0.36) SLC6A4SLC6A2SLC6A3

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