SCHEMBL6869847

SCHEMBL6869847

COc1cccc(N2CC[N]CC2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
NPC1 O15118 1/20 0.44
ADRB1 P08588 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
HIF1A Q16665 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 1/20 0.42
XBP1 P17861 1/20 0.42
DRD2 P14416 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL5237706 0.83 L3MBTL1 (0.45) MAPTNPC1ADRB1KMT2AKDM4E
SCHEMBL1365728 0.82 GFER (0.48) MAPTADRB1ALDH1A1KMT2AMEN1
SCHEMBL6867684 0.81 ALOX5 (0.43) MAPTADRB1ALDH1A1KMT2AKDM4E
SCHEMBL6865906 0.79 MAPK1 (0.44) MAPTALDH1A1KDM4EMAPK1GAA
SCHEMBL1365556 0.78 ADRB1 (0.65) MAPTNPC1ADRB1ALDH1A1KMT2A
SCHEMBL15160573 0.77 HRH3 (0.55) MAPTNPC1ADRB1ALDH1A1KMT2A
SCHEMBL8407231 0.75 CA1 (0.45) LMNA
SCHEMBL4272059 0.73 ADRB1 (0.59) MAPTADRB1ALDH1A1KMT2AMEN1
SCHEMBL21098564 0.73 ADRB1 (0.59) MAPTADRB1ALDH1A1KMT2AMEN1
SCHEMBL6869329 0.70 LMNA (0.37) ADRB1ALDH1A1KMT2AMEN1LMNA

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 18 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-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
US-5925642-A ANTITUMOR, ANTIMETASTASIS AGENTS; DRUG RESISTANCE MODULATORS; SYNERGISTIC MIXTURES WITH ANTIBIOTICS AND CYTOSTATIC AGENTS; SIDE EFFECT REDUCTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-07-20 US disclosed
US-5919784-A ANXIETY, DEPRESSION ADIR ET COMPAGNIE (FR) 1999-07-06 US disclosed
EP-0863899-A1 PYRIDOPYRIMIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1998-09-16 EP disclosed
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 US disclosed
WO-1997019946-A1 PYRIDOPYRIMIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-06-05 WO disclosed
EP-0740649-A1 NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE Byk Nederland BV (NL) 1996-11-06 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-1995019952-A1 NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1995-07-27 WO disclosed