SCHEMBL7001028

SCHEMBL7001028

CCCCc1ccc(CCN)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
NFKB1 P19838 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50
RAB9A P51151 7/20 0.47

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
SCHEMBL24081206 0.87 NFKB1 (0.54) NFKB1L3MBTL1MAPTKDM4EMEN1
SCHEMBL20411973 0.85 NFKB1 (0.53) HTR2ANFKB1L3MBTL1MAPTKDM4E
SCHEMBL6562985 0.85 HRH1 (0.48) HTR2AL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL8541432 0.84 NFKB1 (0.44) HTR2ANFKB1L3MBTL1MAPTKDM4E
SCHEMBL23531409 0.84 RAB9A (0.54) HTR2ANFKB1L3MBTL1MAPTKDM4E
SCHEMBL11627706 0.83 HRH3 (0.56) HTR2AL3MBTL1KDM4ECYP1A2TDP1
SCHEMBL21339921 0.83 NFKB1 (0.50) NFKB1L3MBTL1MAPTKDM4EMEN1
SCHEMBL5712637 0.83 RAB9A (0.53) HTR2ANFKB1L3MBTL1MAPTKDM4E
SCHEMBL2619347 0.83 NFKB1 (0.54) NFKB1L3MBTL1MAPTKDM4EMEN1
SCHEMBL10484107 0.82 NFKB1 (0.44) HTR2ANFKB1L3MBTL1MAPTKDM4E

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-1069132-B1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-10-01 EP disclosed
EP-1069132-A1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-01-17 EP disclosed