SCHEMBL8534086

SCHEMBL8534086

O=C1NCCNC1Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
GHSR Q92847 10/20 0.47
MLNR O43193 5/20 0.46
GLA P06280 2/20 0.45
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10153134 0.82 GLA (0.45) GHSRMLNRGLASMN1; SMN2
SCHEMBL18577233 0.81 SMN1; SMN2 (0.44) CYP2C19GHSRMLNRGLACYP3A4
SCHEMBL18577231 0.81 SMN1; SMN2 (0.44) CYP2C19GHSRMLNRGLACYP3A4
SCHEMBL6936657 0.81 GLA (0.58) GHSRGLA
SCHEMBL9437533 0.81 GLA (0.58) GHSRGLA
SCHEMBL9437531 0.81 GLA (0.58) GHSRGLA
SCHEMBL7647043 0.77 MLNR (0.46) GHSRMLNRGLASMN1; SMN2
SCHEMBL13876425 0.72 MLNR (0.53) MAPTMLNRGLASMN1; SMN2
SCHEMBL25365707 0.71 KDM4E (0.48) CYP2C19MAPTCYP2C9GHSRGLA
SCHEMBL7452857 0.71 SMN1; SMN2 (0.42) CYP2C19MAPTCYP2C9GHSRGLA

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