SCHEMBL3440230

SCHEMBL3440230

C=C1c2ccccc2C(=O)N1C1CCN(c2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
CHKA P35790 1/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
LSS P48449 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
PLD1 Q13393 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
EED O75530 1/20 0.35

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
SCHEMBL3439989 0.90 L3MBTL1 (0.47) L3MBTL1CHKAKDM1AMAOBLSS
SCHEMBL12419719 0.73 ADRA1D (0.50) L3MBTL1ADRA1DADRA1AADRA1BHRH3
SCHEMBL3194921 0.72 ALDH1A1 (0.52) L3MBTL1ALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL12047376 0.71 CHRM3 (0.38) L3MBTL1CHKAKDM1AMAOBLSS
SCHEMBL6589327 0.70 ALDH1A1 (0.56) ALDH1A1
SCHEMBL3716319 0.68 L3MBTL1 (0.67) L3MBTL1KDM1AMAOBALDH1A1MBTD1
SCHEMBL4711666 0.68 CHKA (0.61) CHKAKDM1AMAOBLSSALDH1A1
SCHEMBL2665681 0.67 L3MBTL1 (0.54) L3MBTL1ALDH1A1
SCHEMBL9625796 0.67 L3MBTL1 (0.54) L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL3716101 0.67 L3MBTL1 (0.65) L3MBTL1KDM1AMAOBALDH1A1MBTD1

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-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
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
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
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed