SCHEMBL3440272

SCHEMBL3440272

CCNCC1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.50
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAD52 P43351 1/20 0.50
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.46
ADRA2C P18825 1/20 0.46
PTK2B Q14289 1/20 0.46
ESR2 Q92731 1/20 0.46
CASP6 P55212 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 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
SCHEMBL1789020 0.82 MAPT (0.58) GFERMAPTKDM4EGAASMN1; SMN2
SCHEMBL13083096 0.81 F10 (0.47) ADRA1DADRA1AADRA1BF10
SCHEMBL13082630 0.81 HRH4 (0.50) MAPTLMNA
Hydrochloric Acid SCHEMBL3578150 0.80 MAPT (0.43) GFERMAPTKDM4EGAASMN1; SMN2
SCHEMBL3123610 0.79 GFER (0.45) GFERMAPTKDM4EGAASMN1; SMN2
SCHEMBL25188789 0.79 MAPT (0.54) GFERMAPTKDM4EGAASMN1; SMN2
SCHEMBL13380458 0.79 MAPT (0.54) GFERMAPTKDM4EGAASMN1; SMN2
SCHEMBL3563390 0.79 SMN1; SMN2 (0.54) GFERMAPTKDM4EGAASMN1; SMN2
SCHEMBL3440274 0.79 MAPT (0.59) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL520612 0.78 MAPT (0.50) GFERMAPTKDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
EP-2284166-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
CN-101356159-A Substituted isoquinoline-1, 3(2H,4H) -diones, 1-thio-1, 4-dihydro-2H-isoquinoline-3-ones and 1, 4-dihydro-3 (2H) -isoquinolones and their use as kinase inhibitors WYETH CORP (US) 2009-01-28 CN disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO disclosed