SCHEMBL5758520

SCHEMBL5758520

O=C(O)N1CCN(c2ccncn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORD Q00796 1/20 0.54
AKT1 P31749 1/20 0.53
ROCK1 Q13464 1/20 0.52
GPR119 Q8TDV5 1/20 0.50
RIPK1 Q13546 1/20 0.48
LSS P48449 1/20 0.46
PARP1 P09874 2/20 0.46
ALDH1A1 P00352 5/20 0.46
CHRM1 P11229 1/20 0.46
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADRB2 P07550 1/20 0.44
GRM1 Q13255 1/20 0.44
MAPK1 P28482 1/20 0.43
SLC6A7 Q99884 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
Hydrochloric Acid SCHEMBL4813858 0.98 SORD (0.52) SORDAKT1ROCK1GPR119RIPK1
SCHEMBL9371315 0.85 AKT1 (0.55) SORDAKT1ROCK1GPR119LSS
SCHEMBL9767811 0.84
SCHEMBL9558128 0.79 SORD (0.55) SORDAKT1ROCK1GPR119RIPK1
SCHEMBL14344836 0.79 SORD (0.52) SORDAKT1ROCK1GPR119RIPK1
SCHEMBL1459007 0.78 ALDH1A1 (0.68) ALDH1A1KDM4ECYP3A4CYP2C9HPGD
SCHEMBL6181710 0.78 RIPK1 (0.58) SORDAKT1GPR119RIPK1LSS
Hydrochloric Acid SCHEMBL1990072 0.76 RIPK1 (0.57) SORDAKT1GPR119RIPK1LSS
SCHEMBL4453478 0.76 SORD (0.56) SORDAKT1ROCK1GPR119RIPK1
SCHEMBL30775404 0.76 SORD (0.56) SORDAKT1ROCK1GPR119RIPK1

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
CN-100448875-C Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-01-07 CN disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
CN-1675203-A Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2005-09-28 CN disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
CN-1228087-A Substituted pyrimidine derivatives and their pharmaceutical use ZENECA LTD (GB) 1999-09-08 CN disclosed