SCHEMBL250507

SCHEMBL250507

O=C(O)OC1CCN(Cc2ccccc2)C1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.61
MAOB P27338 2/20 0.61
ALDH1A1 P00352 1/20 0.51
OPRK1 P41145 1/20 0.50
S1PR5 Q9H228 1/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL8313882 0.91 BCHE (0.70) BCHEOPRK1MEN1TSHRKMT2A
SCHEMBL28408852 0.88 BCHE (0.58) BCHEMAOBALDH1A1OPRK1
SCHEMBL2893650 0.88 BCHE (0.60) BCHEMAOB
SCHEMBL22721874 0.88 BCHE (0.58) BCHEMAOBALDH1A1OPRK1
SCHEMBL28412274 0.88 BCHE (0.58) BCHEMAOBALDH1A1OPRK1
SCHEMBL3206960 0.88 BCHE (0.60) BCHEMAOB
SCHEMBL9685669 0.88 BCHE (0.60) BCHEMAOB
SCHEMBL10508986 0.87 BCHE (0.56) BCHEMAOBS1PR5SIGMAR1
SCHEMBL759143 0.87 CARM1 (0.57) BCHEMAOBOPRK1S1PR5MEN1
SCHEMBL765918 0.87 CARM1 (0.57) BCHEMAOBOPRK1S1PR5MEN1

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-2061779-B1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INT (DE) 2013-11-06 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
EP-2188251-A1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP 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