SCHEMBL6868437

SCHEMBL6868437

Cc1nc(C)c(Cl)c(NCc2nccc(OCCCCN3CCN(Cc4ccncc4)CC3)c2C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.34
HTR7 P34969 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
METAP1 P53582 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
LSS P48449 1/20 0.32

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
SCHEMBL6866255 0.87 METAP1 (0.43) METAP1
SCHEMBL6866116 0.85 METAP1 (0.33) HTR1ADRD2METAP1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6861864 0.83 KDM4E (0.32) METAP1KDM4EALDH1A1LMNACYP2D6
SCHEMBL7044854 0.81 HPGD (0.32) LMNA
SCHEMBL6861500 0.81 DYRK3 (0.33) HTR1AMETAP1KDM4EALDH1A1LMNA
SCHEMBL6869916 0.80 HPGD (0.32) LMNA
SCHEMBL6861471 0.80 ALDH1A1 (0.32) HTR1AMETAP1KDM4EALDH1A1LMNA
SCHEMBL6861630 0.79 PDE10A (0.32) LMNACYP1A2CYP2D6CYP2C19
SCHEMBL6861424 0.78 KDM4E (0.32) METAP1KDM4EALDH1A1
SCHEMBL6871021 0.77 PDE10A (0.30) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091957-B1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA ALTANA PHARMA AG (DE) 2004-12-15 EP disclosed
US-6395732-B1 BACTERICIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-05-28 US disclosed
EP-1091957-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-04-18 EP disclosed
WO-1999061439-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed