SCHEMBL6865773

SCHEMBL6865773

Cc1c(OCCCCO)ccnc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.41
AOC3 Q16853 1/20 0.41
TLR8 Q9NR97 1/20 0.41
ALDH1A1 P00352 5/20 0.39
CYP2C9 P11712 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
WDR5 P61964 2/20 0.39
KMT2A Q03164 2/20 0.39
DDAH1 O94760 1/20 0.39
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
IDE P14735 1/20 0.39
ADRA2B P18089 1/20 0.39
TBXA2R P21731 1/20 0.39
ACHE P22303 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
NPY1R P25929 1/20 0.39

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
SCHEMBL1735592 0.98 LOX (0.41) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL1735042 0.98 LOX (0.41) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL1735527 0.98 LOX (0.41) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL1733364 0.98 LOX (0.41) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL1733376 0.98 LOX (0.41) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL1733377 0.98 LOX (0.41) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL8088378 0.95 ALDH1A1 (0.39) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL8503292 0.90 ALDH1A1 (0.38) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL2987646 0.89 CYP2C9 (0.38) TLR8ALDH1A1CYP2C9MAPTLMNA
SCHEMBL2991770 0.87 LMNA (0.40) TLR8ALDH1A1CYP2C9MAPTLMNA

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 7 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-6479514-B1 FOR THE CONTROL OF HELICOBACTER BACTERIA IN INFECTED PATIENTS ALTANA PHARMA AG (DE) 2002-11-12 US 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
EP-1086094-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-03-28 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
WO-1999061438-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed