SCHEMBL4967404

SCHEMBL4967404

Nc1ccc(NCCc2ccccc2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.46
MAOB P27338 4/20 0.46
MAOA P21397 3/20 0.46
KDM4E B2RXH2 1/20 0.44
SLC29A1 Q99808 1/20 0.44
APP P05067 2/20 0.44
NPC1 O15118 1/20 0.44
KDM1A O60341 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL7231916 0.83 FABP1 (0.58) KDM4EALDH1A1LMNASMN1; SMN2HDAC1
SCHEMBL11252790 0.82 HRH4 (0.45) HRH4HRH3ALDH1A1LMNAADRA2A
SCHEMBL30639140 0.82 HRH4 (0.45) HRH4HRH3ALDH1A1LMNAADRA2A
SCHEMBL11561635 0.80 RAB9A (0.63) L3MBTL1KDM4ENPC1ALDH1A1LMNA
SCHEMBL5040443 0.80 L3MBTL1 (0.50) L3MBTL1MAOBMAOASLC29A1APP
SCHEMBL6677526 0.80 CYP1A2 (0.69) HRH3L3MBTL1MAOBMAOAAPP
SCHEMBL2028729 0.77 HRH3 (0.42) HRH4HRH3CYP3A4ADRA2APTGS1
SCHEMBL11562300 0.76 HCAR3 (0.66) KDM4ENPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL7353325 0.75 APP (0.42) HRH4HRH3APPPTGS1SMN1; SMN2
SCHEMBL2911978 0.75 HCAR3 (0.56) HRH4HRH3ALDH1A1LMNAADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 WO disclosed