SCHEMBL6869329

SCHEMBL6869329

CC1C[N]CCN1c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALOX5 P09917 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADAMTS5 Q9UNA0 3/20 0.34
MMP14 P50281 2/20 0.34
MMP2 P08253 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL1899257 0.84 MAPT (0.44) LMNAADRB1ALOX5MEN1KMT2A
SCHEMBL6865906 0.82 MAPK1 (0.44) SIGMAR1ALOX5ALDH1A1
SCHEMBL6867684 0.81 ALOX5 (0.43) LMNAHTR3EHTR3BADRB1HTR3A
SCHEMBL20458224 0.76 PSEN1 (0.40) LMNADRD2DRD4HTR3EHTR3B
SCHEMBL24681608 0.73 PSEN1 (0.45) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL9417716 0.73 PSEN1 (0.45) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL24681100 0.73 PSEN1 (0.45) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL1365728 0.72 GFER (0.48) LMNAADRB1MEN1KMT2AALDH1A1
SCHEMBL16254933 0.71 PSEN1 (0.51) LMNAALDH1A1PSEN1PSEN2APH1B
SCHEMBL220360 0.71 HTR3E (0.57) LMNADRD4HTR3EHTR3BADRB1

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 17 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
EP-0772593-B1 THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA ALTANA PHARMA AG (DE) 2003-05-02 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
US-6162809-A Pyridylthio compounds for controlling helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-12-19 US disclosed
WO-1999061438-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO 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
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 US disclosed
EP-0731801-A1 SUBSTITUTED AMINOALKYLAMINOPYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-09-18 EP disclosed
WO-1996002505-A1 THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-02-01 WO disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO disclosed
WO-1995015324-A1 SUBSTITUTED AMINOALKYLAMINOPYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-06-08 WO disclosed
US-4302588-A 5-(3-SUBSTITUTED AMINO)-2-HYDROXY-PROPYLOXY)-8-HYDROXY OR ALKOXY-CARBOSTYRILS, ADRENERGIC BLOCKING AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-11-24 US disclosed
US-4289883-A ADRENERGIC BLOCKING AGENTS OF EXCELLENT CARDIOSELECTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-15 US disclosed
US-4210753-A TREATMENT OF CARDIAC DISORDERS AND CHRONIC LUNG DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-07-01 US disclosed